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Sample records for highly excited compound

  1. Excited-State Deactivation of Branched Phthalocyanine Compounds.

    Science.gov (United States)

    Zhu, Huaning; Li, Yang; Chen, Jun; Zhou, Meng; Niu, Yingli; Zhang, Xinxing; Guo, Qianjin; Wang, Shuangqing; Yang, Guoqiang; Xia, Andong

    2015-12-21

    The excited-state relaxation dynamics and chromophore interactions in two phthalocyanine compounds (bis- and trisphthalocyanines) are studied by using steady-state and femtosecond transient absorption spectral measurements, where the excited-state energy-transfer mechanism is explored. By exciting phthalocyanine compounds to their second electronically excited states and probing the subsequent relaxation dynamics, a multitude of deactivation pathways are identified. The transient absorption spectra show the relaxation pathway from the exciton state to excimer state and then back to the ground state in bisphthalocyanine (bis-Pc). In trisphthalocyanine (tris-Pc), the monomeric and dimeric subunits are excited and the excitation energy transfers from the monomeric vibrationally hot S1 state to the exciton state of a pre-associated dimer, with subsequent relaxation to the ground state through the excimer state. The theoretical calculations and steady-state spectra also show a face-to-face conformation in bis-Pc, whereas in tris-Pc, two of the three phthalocyanine branches form a pre-associated face-to-face dimeric conformation with the third one acting as a monomeric unit; this is consistent with the results of the transient absorption experiments from the perspective of molecular structure. The detailed structure-property relationships in phthalocyanine compounds is useful for exploring the function of molecular aggregates in energy migration of natural photosynthesis systems. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Highly trifluoromethylated platinum compounds.

    Science.gov (United States)

    Martínez-Salvador, Sonia; Forniés, Juan; Martín, Antonio; Menjón, Babil

    2011-07-11

    The homoleptic, square-planar organoplatinum(II) compound [NBu(4)](2) [Pt(CF(3))(4)] (1) undergoes oxidative addition of CF(3) I under mild conditions to give rise to the octahedral organoplatinum(IV) complex [NBu(4)](2) [Pt(CF(3))(5)I] (2). This highly trifluoromethylated species reacts with Ag(+) salts of weakly coordinating anions in Me(2)CO under a wet-air stream to afford the aquo derivative [NBu(4)][Pt(CF(3))(5) (OH(2))] (4) in around 75% yield. When the reaction of 2 with the same Ag(+) salts is carried out in MeCN, the solvento compound [NBu(4) ][Pt(CF(3))(5)(NCMe)] (5) is obtained in around 80% yield. The aquo ligand in 4 as well as the MeCN ligand in 5 are labile and can be cleanly replaced by neutral and anionic ligands to furnish a series of pentakis(trifluoromethyl)platinate(IV) compounds with formulae [NBu(4)][Pt(CF(3))(5) (L)] (L=CO (6), pyridine (py; 7), tetrahydrothiophene (tht; 8)) and [NBu(4)](2) [Pt(CF(3))(5)X] (X=Cl (9), Br (10)). The unusual carbonyl-platinum(IV) derivative [NBu(4)][Pt(CF(3))(5) (CO)] (6) is thermally stable and has a ν(CO) of 2194 cm(-1). The crystal structures of 2⋅CH(2)Cl(2), 5, [PPh(4) ][Pt(CF(3))(5)(CO)] (6'), and 7 have been established by X-ray diffraction methods. Compound 2 has shown itself to be a convenient entry to the chemistry of highly trifluoromethylated platinum compounds. To the best of our knowledge, compounds 2 and 4-10 are the organoelement compounds with the highest CF(3) content to have been isolated and adequately characterized to date. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Electron Excitation of High Dipole Moment Molecules

    Science.gov (United States)

    Goldsmith, Paul; Kauffmann, Jens

    2018-01-01

    Emission from high-dipole moment molecules such as HCN allows determination of the density in molecular clouds, and is often considered to trace the “dense” gas available for star formation. We assess the importance of electron excitation in various environments. The ratio of the rate coefficients for electrons and H2 molecules, ~10^5 for HCN, yields the requirements for electron excitation to be of practical importance if n(H2) 10^{-5}, where the numerical factors reflect critical values n_c(H2) and X^*(e-). This indicates that in regions where a large fraction of carbon is ionized, X(e-) will be large enough to make electron excitation significant. The situation is in general similar for other “high density tracers”, including HCO+, CN, and CS. But there are significant differences in the critical electron fractional abundance, X^*(e-), defined by the value required for equal effect from collisions with H2 and e-. Electron excitation is, for example, unimportant for CO and C+. Electron excitation may be responsible for the surprisingly large spatial extent of the emission from dense gas tracers in some molecular clouds (Pety et al. 2017, Kauffmann, Goldsmith et al. 2017, A&A, submitted). The enhanced estimates for HCN abundances and HCN/CO and HCN/HCO+ ratios observed in the nuclear regions of luminous galaxies may be in part a result of electron excitation of high dipole moment tracers. The importance of electron excitation will depend on detailed models of the chemistry, which may well be non-steady state and non--static.

  4. Dynamical analysis of highly excited molecular spectra

    Energy Technology Data Exchange (ETDEWEB)

    Kellman, M.E. [Univ. of Oregon, Eugene (United States)

    1993-12-01

    The goal of this program is new methods for analysis of spectra and dynamics of highly excited vibrational states of molecules. In these systems, strong mode coupling and anharmonicity give rise to complicated classical dynamics, and make the simple normal modes analysis unsatisfactory. New methods of spectral analysis, pattern recognition, and assignment are sought using techniques of nonlinear dynamics including bifurcation theory, phase space classification, and quantization of phase space structures. The emphasis is chaotic systems and systems with many degrees of freedom.

  5. Semiclassical quantization of highly excited scar states

    Science.gov (United States)

    Vergini, Eduardo G.

    2017-04-01

    The semiclassical quantization of Hamiltonian systems with classically chaotic dynamics is restricted to low excited states, close to the ground state, because the number of required periodic orbits grows exponentially with energy. Nevertheless, here we demonstrate that it is possible to find eigenenergies of highly excited states scarred by a short periodic orbit. Specifically, by using 18146 homoclinic orbits (HO)s of the shortest periodic orbit of the hyperbola billiard, we find eigenenergies of the strongest scars over a range which includes 630 even eigenfunctions. The analysis of data reveals that the used semiclassical formula presents two regimes. First, when all HOs with excursion time smaller than the Heisenberg time t H are included, the error is around 3.3% of the mean level spacing. Second, in the energy region defined by \\tilde{t}/ tH > 0.13 , where \\tilde{t} is the maximum excursion time included in the calculation, the error is around 15% of the mean level spacing.

  6. Highly excited strings I: Generating function

    Directory of Open Access Journals (Sweden)

    Dimitri P. Skliros

    2017-03-01

    Full Text Available This is the first of a series of detailed papers on string amplitudes with highly excited strings (HES. In the present paper we construct a generating function for string amplitudes with generic HES vertex operators using a fixed-loop momentum formalism. We generalise the proof of the chiral splitting theorem of D'Hoker and Phong to string amplitudes with arbitrary HES vertex operators (with generic KK and winding charges, polarisation tensors and oscillators in general toroidal compactifications E=RD−1,1×TDcr−D (with generic constant Kähler and complex structure target space moduli, background Kaluza–Klein (KK gauge fields and torsion. We adopt a novel approach that does not rely on a “reverse engineering” method to make explicit the loop momenta, thus avoiding a certain ambiguity pointed out in a recent paper by Sen, while also keeping the genus of the worldsheet generic. This approach will also be useful in discussions of quantum gravity and in particular in relation to black holes in string theory, non-locality and breakdown of local effective field theory, as well as in discussions of cosmic superstrings and their phenomenological relevance. We also discuss the manifestation of wave/particle (or rather wave/string duality in string theory.

  7. Dispersive high-energy spin excitations in iron pnictide superconductors investigated with RIXS

    Energy Technology Data Exchange (ETDEWEB)

    Schmitt, Thorsten; Zhou, Kejin; Monney, C.; Strocov, V.N. [Paul Scherrer Institut, Villigen (Switzerland); Huang, Y.B. [Paul Scherrer Institut, Villigen (Switzerland); IOP, CAS, Beijing (China); Brink, J. van den [IFW Dresden (Germany); Ding, H. [IOP, CAS, Beijing (China)

    2012-07-01

    The discovery of iron-based high temperature superconductivity has triggered tremendous research efforts in searching for novel high-T{sub c} superconductors. Unlike cuprates, which have long-range ordered antiferromagnetic Mott insulators as parent compounds, the parent compounds of iron-based superconductors are spin-density wave metals with delocalized electronic structure and more itinerant magnetism. Recent developments of the high-resolution resonant inelastic X-ray scattering (RIXS) technique have enabled investigations of magnetic excitations in cuprates, which show excellent agreement with results from Inelastic Neutron Scattering. In this presentation we demonstrate that RIXS can be used to measure collective magnetic excitations in iron-based superconductors despite their much stronger itinerancy compared to cuprates. The persistence of high-energy spin excitations even in optimally doped pnictide superconductors in a wide range of temperatures strongly suggests a spin-mediated Cooper pairing mechanism as proposed in cuprate superconductors.

  8. Dual fluorescent polyaniline model compounds: steric and temperature effects on excited state charge separation.

    Science.gov (United States)

    Kapelle, Sabine; Rettig, Wolfgang; Lapouyade, René

    2002-07-01

    Low temperature dual fluorescence of several derivatives of 4-aminodiphenylamine is investigated quantitatively. A strong thermochromic and solvatochromic redshift is indicative of the high dipole moment of the CT state emitting at long wavelength. The combination of steady state and time-resolved data allowed the calculation of the excited-state equilibrium. The absence of CT-risetimes in diethyl ether and their presence in butyronitrile points to the complication by additional ground state conformational equilibria. Both ground and excited state equilibria depend on solvent polarity and temperature. High solvent polarity favours one of the ground state conformers.

  9. Metastable states of highly excited heavy ions

    Science.gov (United States)

    Pegg, D. J.; Griffin, P. M.; Sellin, I. A.; Smith, W. W.; Donnally, B.

    1973-01-01

    Description of the method used and results obtained in an experimental study of the metastable states of highly stripped heavy ions, aimed at determining the lifetimes of such states by the rates of autoionization and radiation. The significance and limitations of the results presented are discussed.

  10. Three-photon Gaussian–Gaussian–Laguerre–Gaussian excitation of a localized atom to a highly excited Rydberg state

    Science.gov (United States)

    Mashhadi, L.

    2017-12-01

    Optical vortices are currently one of the most intensively studied topics in light–matter interaction. In this work, a three-step axial Doppler- and recoil-free Gaussian–Gaussian-Laguerre–Gaussian (GGLG) excitation of a localized atom to the highly excited Rydberg state is presented. By assuming a large detuning for intermediate states, an effective quadrupole excitation related to the Laguerre–Gaussian (LG) excitation to the highly excited Rydberg state is obtained. This special excitation system radially confines the single highly excited Rydberg atom independently of the trapping system into a sharp potential landscape into the so-called ‘far-off-resonance optical dipole-quadrupole trap’ (FORDQT). The key parameters of the Rydberg excitation to the highly excited state, namely the effective Rabi frequency and the effective detuning including a position-dependent AC Stark shift, are calculated in terms of the basic parameters of the LG beam and of the polarization of the excitation lasers. It is shown that the obtained parameters can be tuned to have a precise excitation of a single atom to the desired Rydberg state as well. The features of transferring the optical orbital and spin angular momentum of the polarized LG beam to the atom via quadrupole Rydberg excitation offer a long-lived and controllable qudit quantum memory. In addition, in contrast to the Gaussian laser beam, the doughnut-shaped LG beam makes it possible to use a high intensity laser beam to increase the signal-to-noise ratio in quadrupole excitation with minimized perturbations coming from stray light broadening in the last Rydberg excitation process.

  11. Measurement of light charged particles in the decay channels of medium-mass excited compound nuclei

    Directory of Open Access Journals (Sweden)

    Valdré S.

    2014-03-01

    Indeed, in this mass region (A ~ 100 models predict that shape transitions can occur at high spin values and relatively scarce data exist in the literature about coincidence measurements between evaporation residues and light charged particles. Signals of shape transitions can be found in the variations of the lineshape of high energy gamma rays emitted from the de-excitation of GDR states gated on different region of angular momenta. For this purpose it is important to keep under control the FE and FF processes, to regulate the statistical model parameters and to control the onset of possible pre-equilibrium emissions from 300 to 600 MeV bombarding energy.

  12. High-energy excited states in {sup 98}Cd

    Energy Technology Data Exchange (ETDEWEB)

    Blazhev, A; Braun, N; Jolie, J [Universitaet zu Koeln, Cologne (Germany); Grawe, H; Boutachkov, P; Gorska, M; Pietri, S; Domingo-Pardo, C; Kojouharov, I; Caceres, L; Engert, T; Farinon, F; Gerl, J; Goel, N [GSI, Darmstadt (Germany); Singh, B S Nara; Brock, T; Wadsworth, R [University of York, York (United Kingdom); Liu, Zh [University of Edinburgh, Edinburgh (United Kingdom); Nowacki, F [IPHC, Strasbourg (France); Grebosz, J, E-mail: a.blazhev@ikp.uni-koeln.d [IFJ PAN, Krakow (Poland)

    2010-01-01

    In {sup 98}Cd a new high-energy isomeric {gamma}-ray transition was identified, which confirms previous spin-parity assignments and enables for the first time the measurement of the E2 and E4 strength for the two decay branches of the isomer. Preliminary results on the {sup 98}Cd high-excitation level scheme are presented. A comparison to shell-model calculations as well as implications for the nuclear structure around {sup 100}Sn are discussed.

  13. Excitations

    Energy Technology Data Exchange (ETDEWEB)

    Dorner, B. [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

    1996-12-31

    A short introduction to instrumental resolution is followed by a discussion of visibilities of phonon modes due to their eigenvectors. High precision phonon dispersion curves in GaAs are presented together with `ab initio` calculations. Al{sub 2}O{sub 3} is taken as an example of selected visibility due to group theory. By careful determination of phonon intensities eigenvectors can be determined, such as in Silicon and Diamond. The investigation of magnon modes is shown for the garnet Fe{sub 2}Ca{sub 3}(GeO{sub 4}){sub 3}, where also a quantum gap due to zero point spin fluctuations was observed. The study of the splitting of excitons in CsFeCl{sub 3} in an applied magnetic field demonstrates the possibilities of neutron polarisation analysis, which made it possible to observe a mode crossing. An outlook to inelastic X-ray scattering with very high energy resolution of synchrotron radiation is given with the examples of phonons in Beryllium and in water. (author) 19 figs., 36 refs.

  14. Unusual emission properties of the selected organosilicon compounds containing a styryl-carbazole chromophore: inversion of the singlet excited states.

    Science.gov (United States)

    Rachuta, K; Bayda, M; Majchrzak, M; Koput, J; Marciniak, B

    2017-05-10

    The spectroscopic and photophysical properties of silicon-containing styryl-carbazole were investigated in various solvents, and the results were analyzed with reference to its carbon derivatives. In n-hexane, both the silicon- and the carbon-containing compounds had very similar emission properties. In acetonitrile, the emission properties remained the same for the C-compound but changed significantly for the Si-compounds. In particular, the fluorescence spectra of the latter were red-shifted, and their radiative rate constants were even 7 times larger than in n-hexane, which suggested that the emissive states of the silicon-containing compounds were different in these two solvents. DFT calculations using the CAM-B3LYP functional showed that the emissive state of the C-compound involves the LUMO+1 orbital regardless of the medium. In contrast, for the Si-compound, changing the medium from n-hexane to acetonitrile resulted in the inversion of the emissive states from an excited state involving the LUMO+1 orbital (the dipole moment μ = 4.2 D) to an excited state involving the LUMO orbital (μ = 8.9 D).

  15. Observation of interference effects via four photon excitation of highly excited Rydberg states in thermal cesium vapor

    CERN Document Server

    Kondo, Jorge M; Guttridge, Alex; Wade, Christopher G; De Melo, Natalia R; Adams, Charles S; Weatherill, Kevin J

    2015-01-01

    We report on the observation of Electromagnetically Induced Transparency (EIT) and Absorption (EIA) of highly-excited Rydberg states in thermal Cs vapor using a 4-step excitation scheme. The advantage of this 4-step scheme is that the final transition to the Rydberg state has a large dipole moment and one can achieve similar Rabi frequencies to 2 or 3 step excitation schemes using two orders of magnitude less laser power. Consequently each step is driven by a relatively low power infra-red diode laser opening up the prospect for new applications. The observed lineshapes are in good agreement with simulations based on multilevel optical Bloch equations.

  16. Excitation and Ionisation dynamics in high-frequency plasmas

    Science.gov (United States)

    O'Connell, D.

    2008-07-01

    Non-thermal low temperature plasmas are widely used for technological applications. Increased demands on plasma technology have resulted in the development of various discharge concepts based on different power coupling mechanisms. Despite this, power dissipation mechanisms in these discharges are not yet fully understood. Of particular interest are low pressure radio-frequency (rf) discharges. The limited understanding of these discharges is predominantly due to the complexity of the underlying mechanisms and difficult diagnostic access to important parameters. Optical measurements are a powerful diagnostic tool offering high spatial and temporal resolution. Optical emission spectroscopy (OES) provides non-intrusive access, to the physics of the plasma, with comparatively simple experimental requirements. Improved advances in technology and modern diagnostics now allow deeper insight into fundamental mechanisms. In low pressure rf discharges insight into the electron dynamics within the rf cycle can yield vital information. This requires high temporal resolution on a nano-second time scale. The optical emission from rf discharges exhibits temporal variations within the rf cycle. These variations are particularly strong, in for example capacitively coupled plasmas (CCPs), but also easily observable in inductively coupled plasmas (ICPs), and can be exploited for insight into power dissipation. Interesting kinetic and non-linear coupling effects are revealed in capacitive systems. The electron dynamics exhibits a complex spatio-temporal structure. Excitation and ionisation, and, therefore, plasma sustainment is dominated through directed energetic electrons created through the dynamics of the plasma boundary sheath. In the relatively simple case of an asymmetric capacitively coupled rf plasma the complexity of the power dissipation is exposed and various mode transitions can be clearly observed and investigated. At higher pressure secondary electrons dominate the

  17. High-energy excited states in {sup 98}Cd

    Energy Technology Data Exchange (ETDEWEB)

    Braun, Norbert; Blazhev, Andrey; Jolie, Jan [Institut fuer Kernphysik, Universitaet Koeln (Germany); Boutachkov, Plamen; Gorska, Magda; Grawe, Hubert; Pietri, Stephane [GSI, Darmstadt (Germany); Brock, Tim; Nara Singh, B.S.; Wadsworth, Robert [Department of Physics, University of York, York (United Kingdom); Liu, Zhong [University of Edinburgh, Edinburgh (United Kingdom)

    2009-07-01

    Studies of isomerism in the proton-rich N {approx_equal}Z nuclei around {sup 100}Sn give important insights into the role of proton-neutron pairing and also serve as testing grounds for nuclear models. In summer 2008, an experiment on {sup 96,97,98}Cd was performed using the FRS fragment separator and the RISING germanium array at GSI. These exotic nuclei of interest were produced using fragmentation of a 850 MeV/u {sup 124}Xe beam on a 4 g/cm{sup 2} {sup 9}Be target and finally implanted into an active stopper consisting of 9 double-sided silicon strip detectors. In {sup 98}Cd, a new high-energy isomeric transition was identified. Preliminary results on {sup 98}Cd are presented and their implications for the high-excitation level scheme are discussed.

  18. Radiance limits of ceramic phosphors under high excitation fluxes

    Science.gov (United States)

    Lenef, Alan; Kelso, John; Zheng, Yi; Tchoul, Maxim

    2013-09-01

    Ceramic phosphors, excited by high radiance pump sources, offer considerable potential for high radiance conversion. Interestingly, thermodynamic arguments suggest that the radiance of the luminescent spot can even exceed that of the incoming light source. In practice, however, thermal quenching and (non-thermal) optical saturation limit the maximum attainable radiance of the luminescent source. We present experimental data for Ce:YAG and Ce:GdYAG ceramics in which these limits have been investigated. High excitation fluxes are achieved using laser pumping. Optical pumping intensities exceeding 100W/mm2 have been shown to produce only modest efficiency depreciation at low overall pump powers because of the short Ce3+ lifetime, although additional limitations exist. When pump powers are higher, heat-transfer bottlenecks within the ceramic and heat-sink interfaces limit maximum pump intensities. We find that surface temperatures of these laser-pumped ceramics can reach well over 150°C, causing thermal-quenching losses. We also find that in some cases, the loss of quantum efficiency with increasing temperature can cause a thermal run-away effect, resulting in a rapid loss in converted light, possibly over-heating the sample or surrounding structures. While one can still obtain radiances on the order of many W/mm2/sr, temperature quenching effects ultimately limit converted light radiance. Finally, we use the diffusion-approximation radiation transport models and rate equation models to simulate some of these nonlinear optical pumping and heating effects in high-scattering ceramics.

  19. Exciting hot carrier to a high energy state by impact excitation in low density nanocrystalline Si films

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Wei, E-mail: yuwei_hbu@126.com [College of Physics Science and Technology, Hebei University, Baoding 071002 (China); Wang, Xinzhan; Dai, Wanlei; Liu, Yumei; Xu, Yanmei; Lu, Wanbing; Fu, Guangsheng [College of Physics Science and Technology, Hebei University, Baoding 071002 (China)

    2013-02-15

    The carrier recombination processes in low density nanocrystalline (nc-) Si films have been studied by steady and time-resolved photoluminescence (PL) spectra, and the hot carriers have been excited to a high energy state by impact excitation. A yellow-green PL band locating at 580 nm appears when the studied film is excited by two optical beams. The yellow-green PL band results from band-to-band transition in Si nanocrystals with double-bonded oxygen atoms, which is caused by impact excitation among the carriers in the nc-Si film. The decay time of the yellow-green PL band is 230 ns, which is much longer than the hot carrier cooling. The results indicate that the lost energy in the solar cell may be collected from the new recombination center in the further structural design.

  20. The wave buoy analogy - estimating high-frequency wave excitations

    DEFF Research Database (Denmark)

    Nielsen, Ulrik Dam

    2008-01-01

    The paper deals with the wave buoy analogy where a ship is considered as a wave buoy, so that measured ship responses are used as a basis to estimate wave spectra and associated sea state parameters. The study presented follows up on a previous paper, Nielsen [Nielsen UD. Response-based estimation...... of sea state parameters — influence of filtering. Ocean Engineering 2007;34:1797–810.], where time series of ship responses were generated from a known wave spectrum for the purpose of the inverse process — the estimation of the underlying wave excitations. Similar response generations and vice versa...... be estimated reasonably well, even considering high-frequency wave components of a wind sea wave spectrum....

  1. Accounting for highly excited states in detailed opacity calculations

    CERN Document Server

    Pain, Jean-Christophe

    2015-01-01

    In multiply-charged ion plasmas, a significant number of electrons may occupy high-energy orbitals. These "Rydberg" electrons, when they act as spectators, are responsible for a number of satellites of X-ray absorption or emission lines, yielding a broadening of the red wing of the resonance lines. The contribution of such satellite lines may be important, because of the high degeneracy of the relevant excited configurations which give these large Boltzmann weights. However, it is in general difficult to take these configurations into account since they are likely to give rise to a large number of lines. We propose to model the perturbation induced by the spectators in a way similar to the Partially-Resolved-Transition-Array approach recently published by C. Iglesias. It consists in a partial detailed-line-accounting calculation in which the effect of the Rydberg spectators is included through a shift and width, expressed in terms of the canonical partition functions, which are key-ingredients of the Super-Tr...

  2. Luminescent rise times of inorganic phosphors excited by high intensity ultraviolet light.

    Science.gov (United States)

    Anderson, R J; Ricchio, S G

    1973-11-01

    The relative delay between excitation and luminescence was measured for a number of common inorganic phosphors using short, high intensity excitation pulses. The delays were found to be much shorter than anticipated; on the basis of low intensity pulsed luminescence measurements and were found to be extremely intensity-dependent. Both the luminescence rise and decay times were found to be intensitydependent as well, with the luminescence pulse waveform tending to approach the exciting pulse at the higher excitation intensities.

  3. Brushless exciters using a high temperature superconducting field winding

    Science.gov (United States)

    Garces, Luis Jose [Schenectady, NY; Delmerico, Robert William [Clifton Park, NY; Jansen, Patrick Lee [Scotia, NY; Parslow, John Harold [Scotia, NY; Sanderson, Harold Copeland [Tribes Hill, NY; Sinha, Gautam [Chesterfield, MO

    2008-03-18

    A brushless exciter for a synchronous generator or motor generally includes a stator and a rotor rotatably disposed within the stator. The rotor has a field winding and a voltage rectifying bridge circuit connected in parallel to the field winding. A plurality of firing circuits are connected the voltage rectifying bridge circuit. The firing circuit is configured to fire a signal at an angle of less than 90.degree. or at an angle greater than 90.degree.. The voltage rectifying bridge circuit rectifies the AC voltage to excite or de-excite the field winding.

  4. High precision measurements on fission-fragment de-excitation

    Science.gov (United States)

    Oberstedt, Stephan; Gatera, Angélique; Geerts, Wouter; Göök, Alf; Hambsch, Franz-Josef; Vidali, Marzio; Oberstedt, Andreas

    2017-11-01

    In recent years nuclear fission has gained renewed interest both from the nuclear energy community and in basic science. The first, represented by the OECD Nuclear Energy Agency, expressed the need for more accurate fission cross-section and fragment yield data for safety assessments of Generation IV reactor systems. In basic science modelling made much progress in describing the de-excitation mechanism of neutron-rich isotopes, e.g. produced in nuclear fission. Benchmarking the different models require a precise experimental data on prompt fission neutron and γ-ray emission, e.g. multiplicity, average energy per particle and total dissipated energy per fission, preferably as function of fission-fragment mass and total kinetic energy. A collaboration of scientists from JRC Geel (formerly known as JRC IRMM) and other institutes took the lead in establishing a dedicated measurement programme on prompt fission neutron and γ-ray characteristics, which has triggered even more measurement activities around the world. This contribution presents new advanced instrumentation and methodology we use to generate high-precision spectral data and will give a flavour of future data needs and opportunities.

  5. Speckle Reduction for Ultrasonic Imaging Using Frequency Compounding and Despeckling Filters along with Coded Excitation and Pulse Compression

    Directory of Open Access Journals (Sweden)

    Joshua S. Ullom

    2012-01-01

    Full Text Available A method for improving the contrast-to-noise ratio (CNR while maintaining the −6 dB axial resolution of ultrasonic B-mode images is proposed. The technique proposed is known as eREC-FC, which enhances a recently developed REC-FC technique. REC-FC is a combination of the coded excitation technique known as resolution enhancement compression (REC and the speckle-reduction technique frequency compounding (FC. In REC-FC, image CNR is improved but at the expense of a reduction in axial resolution. However, by compounding various REC-FC images made from various subband widths, the tradeoff between axial resolution and CNR enhancement can be extended. Further improvements in CNR can be obtained by applying postprocessing despeckling filters to the eREC-FC B-mode images. The despeckling filters evaluated were the following: median, Lee, homogeneous mask area, geometric, and speckle-reducing anisotropic diffusion (SRAD. Simulations and experimental measurements were conducted with a single-element transducer (f/2.66 having a center frequency of 2.25 MHz and a −3 dB bandwidth of 50%. In simulations and experiments, the eREC-FC technique resulted in the same axial resolution that would be typically observed with conventional excitation with a pulse. Moreover, increases in CNR of 348% were obtained in experiments when comparing eREC-FC with a Lee filter to conventional pulsing methods.

  6. Electron impact excitation of highly charged sodium-like ions

    Science.gov (United States)

    Blaha, M.; Davis, J.

    1978-01-01

    Optical transition probabilities and electron collision strengths for Ca X, Fe XVI, Zn XX, Kr XXVI and Mo XXXII are calculated for transitions between n equal to 3 and n equal to 4 levels. The calculations neglect relativistic effects on the radial functions. A semi-empirical approach provides wave functions of the excited states; a distorted wave function without exchange is employed to obtain the excitation cross sections. The density dependence of the relative intensities of certain emission lines in the sodium isoelectronic sequence is also discussed.

  7. Compound grating structures in photonic crystals for resonant excitation of azobenzene

    DEFF Research Database (Denmark)

    Jahns, Sabrina; Kallweit, Christine; Adam, Jost

    -difference time-domain (FDTD) calculations for determination of resonance positions and electric field strengths in compound grating structures. By superimposing two single-period gratings a photonic crystal can be designed supporting multiple guided mode resonances suitable to switch azobenzenes between...

  8. Deactivation of Highly Vibrationally Excited OH by O Atoms

    Science.gov (United States)

    Copeland, R. A.; Smith, G. P.; Mlynczak, M. M.; Kalogerakis, K. S.

    2006-12-01

    The hydroxyl radical is a key player in the chemistry and energetics of the middle terrestrial atmosphere, and several studies have investigated energy transfer processes between OH(υ) and atmospheric molecules. Nevertheless, a gap exists in our understanding of its interaction with oxygen atoms. Oxygen atoms are present at about 10% of the oxygen molecule concentration at ~95 km and about 1% at 88 km, so if their rate constant is significantly faster than that of O2 and N2, they will strongly influence the intensity and the vibrational distribution extracted from the OH(υ) emission. We report laboratory measurements of the total removal rate constants of OH(υ = 8, 9) by O(3 P) atoms and preliminary measurements on CO2. These measurements are required so that we can quantify the importance of these collisional processes in the modeling of atmospheric OH emissions and evaluate the chemical heating rate from measurements by the SABER instrument aboard the TIMED satellite. In the experiments, we generate O(3P) and OH(υ) by photodissociation of ozone at 250 nm in a mixture of ozone, nitrogen, hydrogen. The highly excited vibrational levels OH(υ = 7-9) are produced in the reaction of H atoms with ozone that has not been photodissociated. We monitor the temporal evolution of the OH(υ = 8 and 9) population by laser excitation via the \\it B3Σ_u- \\textendash \\it X3Σ_g- (0,9) and (0,8) transitions near 237 nm and 226 nm, respectively, and subsequent detection of visible fluorescence emitted from the \\it B3Σ_u^{- } \\textendash \\it A3Σ_u+ band, an approach developed previously in our laboratory [1]. By controlling the initial conditions of the experiments, we can extract the rate coefficient for OH removal by O atoms in the system. For direct analysis of the OH signal rise to yield accurate rate coefficients an extremely good signal-to-noise-ratio is required. However, a preferred approach involves comparison of the OH signal relative intensity changes when

  9. DEVELOPMENT OF HIGH THERMAL CONDUCTIVITY ELECTRICAL EMBEDDING COMPOUNDS.

    Science.gov (United States)

    This report describes the development of high thermal conductivity electrical embedding compounds utilizing a technique wherein the mold is first...Contained herein, are the pertinent results of a previously reported study which led to the development of three high thermal conductivity compounds...and the further development of several additional compounds with still higher conductivities. (Author)

  10. High-resolution view of compound promiscuity.

    Science.gov (United States)

    Hu, Ye; Bajorath, Jürgen

    2013-01-01

    Compound promiscuity is defined as the ability of a small molecule to specifically interact with multiple biological targets. So-defined promiscuity is relevant for drug discovery because it provides the molecular basis of polypharmacology, which is increasingly implicated in the therapeutic efficacy of drugs. Recent studies have analyzed different aspects of compound promiscuity on the basis of currently available activity data. In this commentary, we present take-home messages from these studies augmented with new results to generate a detailed picture of compound promiscuity that might serve as a reference for further discussions and research activities.

  11. Excitation of compound states in the subsystems as indirect tool in nuclear astrophysics

    Directory of Open Access Journals (Sweden)

    Tribble R.E.

    2010-03-01

    Full Text Available Astrophysical reactions proceeding through compound states represent one of the crucial part of nuclear astrophysics. However, due to the presence of the Coulomb barrier, it is often very difficult or even impossible to obtain the astrophysical S (E factor from measurements in the laboratory at astrophysically relevant energies. The Trojan Horse method (THM provides a unique tool to obtain the information about resonant astrophysical reactions at astrophysically relevant energies. Here the theory and application of the THM for the resonant reactions is addressed.

  12. High energy high resolution photoemission from Heusler compounds in half tunnelling-junctions

    Energy Technology Data Exchange (ETDEWEB)

    Gloskovskii, Andrei; Balke, Benjamin; Ouardi, Siham; Fecher, Gerhard H.; Felser, Claudia [Institute of Inorganic and Analytical Chemistry, Johannes Gutenberg - University, Mainz (Germany); Yamamoto, Masafumi [Graduate School of Informatic Science and Technology, Hokkaido University, Sapporo (Japan)

    2008-07-01

    This work reports on high resolution photoelectron spectroscopy from the valence band of buried Co{sub 2}MnSi thin films excited by photons of about 5.9 keV energy. The measurements were performed on Co{sub 2}MnSi thin films covered by MgO(z)/AlO{sub x}(1 nm) with different thickness z from 2 nm to 20 nm of the MgO interlayer. The film structure corresponds to half a tunnelling magnetoresistive (TMR) junction. It is shown that the high energy spectra reveal the bulk electronic structure of the Heusler compound close to the Fermi energy even through the MgO layer. The high resolution measurements of the valence band close to the Fermi energy indicate a very large electron mean free path of the electrons through the MgO layer. The spectra of the buried thin films agree well with previous measurements from bulk samples.

  13. Non trivial effect of strong high-frequency excitation on a nonlinear controlled system

    DEFF Research Database (Denmark)

    Fidlin, A.; Thomsen, Jon Juel

    2004-01-01

    due to control is usually high compared to uncontrolled systems. A standard optimal controller for a standard nonlinear system (a movable cart used to balance a pendulum vertically) is shown to exhibit pronounced bias error in presence of HF-excitation. The bias increases with increased excitation...

  14. Effective properties of mechanical systems under high-frequency excitation at multiple frequencies

    DEFF Research Database (Denmark)

    Thomsen, Jon Juel

    2008-01-01

    Effects of strong high-frequency excitation at multiple frequencies (multi-HFE) are analyzed for a class of generally nonlinear systems. The effects are illustrated for a simple pendulum system with a vibrating support, and for a parametrically excited flexible beam. For the latter, theoretical...

  15. Effect of high-frequency excitation on natural frequencies of spinning discs

    DEFF Research Database (Denmark)

    Hansen, Morten Hartvig

    2000-01-01

    The effect of high-frequency, non-resonant parametric excitation on the low-frequency response of spinning discs is considered. The parametric excitation is obtained through a non-constant rotation speed, where the frequency of the pulsating overlay is much higher than the lowest natural frequenc...

  16. A DC excited waveguide multibeam CO2 laser using high frequency ...

    Indian Academy of Sciences (India)

    A DC excited waveguide multibeam CO2 laser is reported having six glass discharge tubes. Simultaneous excitation of DC discharge in all sections is achieved by producing pre-ionization using an auxiliary high frequency pulsed discharge along with its other advantages. Maximum 170 W output power is obtained with all ...

  17. Excited states

    CERN Document Server

    Lim, Edward C

    1974-01-01

    Excited States, Volume I reviews radiationless transitions, phosphorescence microwave double resonance through optical spectra in molecular solids, dipole moments in excited states, luminescence of polar molecules, and the problem of interstate interaction in aromatic carbonyl compounds. The book discusses the molecular electronic radiationless transitions; the double resonance techniques and the relaxation mechanisms involving the lowest triplet state of aromatic compounds; as well as the optical spectra and relaxation in molecular solids. The text also describes dipole moments and polarizab

  18. High voltage pulse generators for kicker magnet excitation

    CERN Document Server

    Fiander, D C; Metzmacher, K D; Pearce, P

    1973-01-01

    Describes three new pulse generator systems for the excitation of the kicker magnets of fast ejection facilities. Firstly a pulse generator for the fast ejection from the 28 GeV proton synchrotron (CPS) of any desired number of the twenty circulating proton bunches is treated. Secondly the paper describes the development of a pulse generator for the transfer at 50 mu sec intervals of single bunches of the proton beam from the CPS to the new 300 GeV machine (SPS) in construction at CERN. Finally the development of a programmable eleven step pulse generator for the CPS/SPS transfer is described. This generator allows the shaving of the CPS beam during eleven turns, and because of the CPS/SPS diameter ratio, allows the SPS to be uniformly filled. (7 refs).

  19. Electronic excitation effects in ion-irradiated high- Tc superconductors

    Science.gov (United States)

    Ishikawa, N.; Chimi, Y.; Iwase, A.; Maeta, H.; Tsuru, K.; Michikami, O.; Kambara, T.; Mitamura, T.; Awaya, Y.; Terasawa, M.

    1998-02-01

    We have measured the fluence dependence of the c-axis lattice parameter in EuBa 2Cu 3O y (EBCO) irradiated with various ions from He to Au over the wide energy range from 0.85 MeV to 3.80 GeV. We have observed a linear increase of the c-axis lattice parameter with increasing fluence for all irradiations. The slope of c-axis lattice parameter against fluence, which corresponds to the defect production rate, is separated into two contributions; the effect via elastic displacement and the effect via electronic excitation. The former contribution exhibits a linear increase against the nuclear stopping power, Sn. The latter contribution is scaled by the primary ionization rate, d J/d x, rather than by the electronic stopping power, Se, and is nearly proportional to (d J/d x) 4.

  20. Fission of highly excited nuclei investigated in complete kinematic measurements

    Directory of Open Access Journals (Sweden)

    Rodríguez-Sánchez J.L.

    2013-12-01

    Full Text Available Fission is an extremely complex mechanism that requires a dynamical approach to describe the evolution of the process in terms of intrinsic and collective excitations of the nuclear constituents. In order to determine these effects a complex experimental setup was mounted at GSI, which allowed us for the first time the full identification in charge and mass of all fission fragments thanks to a magnetic separation and the use of the inverse kinematic technique. Moreover, we also measured the neutron multiplicities and the light-charged particles emitted in coincidence with fission. These complete kinematic measurements will be used to define sensitive observables to dissipative and transient effects in fission. In this manuscript we present the first results for the total fission cross sections.

  1. High Temperature High Pressure Thermodynamic Measurements for Coal Model Compounds

    Energy Technology Data Exchange (ETDEWEB)

    John C. Chen; Vinayak N. Kabadi

    1998-11-12

    The overall objective of this project is to develop a better thermodynamic model for predicting properties of high-boiling coal derived liquids, especially the phase equilibria of different fractions at elevated temperatures and pressures. The development of such a model requires data on vapor-liquid equilibria (VLE), enthalpy, and heat capacity which would be experimentally determined for binary systems of coal model compounds and compiled into a database. The data will be used to refine existing models such as UNIQUAC and UNIFAC. The flow VLE apparatus designed and built for a previous project was upgraded and recalibrated for data measurements for thk project. The modifications include better and more accurate sampling technique and addition of a digital recorder to monitor temperature, pressure and liquid level inside the VLE cell. VLE data measurements for system benzene-ethylbenzene have been completed. The vapor and liquid samples were analysed using the Perkin-Elmer Autosystem gas chromatography.

  2. Some general effects of strong high-frequency excitation: stiffening, biasing, and smoothening

    DEFF Research Database (Denmark)

    Thomsen, Jon Juel

    2002-01-01

    that can be modeled by a finite number of second order ordinary differential equations, generally nonlinear, with periodically oscillating excitation terms of high frequency and small amplitude. The results should be useful for understanding the effects in question in a broader perspective than is possible......Mechanical high-frequency (HF) excitation provides a working principle behind many industrial and natural applications and phenomena. This paper concerns three particular effects of HF excitation, that may change the apparent characteristics of mechanical systems: 1) stiffening, by which...

  3. High Amplitude Non Contact Acoustic Source for Defect Detection and 3-component Excitation

    Energy Technology Data Exchange (ETDEWEB)

    Le Bas, Pierre-Yves [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2014-03-03

    This report provides motivation, time reversal basics, non-contact source basics and first results, three component excitation, and a path forward for high amplitude, non-contact acoustic source for defect detection.

  4. Proceedings of the 1984 workshop on high-energy excitations in condensed matter. Volume II

    Energy Technology Data Exchange (ETDEWEB)

    Silver, R.N. (comp.)

    1984-12-01

    This volume covers electronic excitations, momentum distributions, high energy photons, and a wrap-up session. Abstracts of individual items from the conference were prepared separately for the data base. (GHT)

  5. Recent results on giant dipole resonance decays in highly excited nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Snover, K.A.

    1991-12-31

    Some recent results on Giant Dipole Resonance (GDR) decays in highly excited, equilibrated nuclei, are discussed based primarily on work done at Seattle. Four sections address the following topics: oblate shapes of rotating, highly excited Zr--Mo nuclei; adiabatic versus `motionally narrowed` GDR decay; large spin-driven deformations observed in hot medium-mass nuclei; and search for entrance channel effects in GDR decay following {sup 58}Ni {plus} {sup 92}Zr fusion. 22 refs.

  6. Recent results on giant dipole resonance decays in highly excited nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Snover, K.A.

    1991-01-01

    Some recent results on Giant Dipole Resonance (GDR) decays in highly excited, equilibrated nuclei, are discussed based primarily on work done at Seattle. Four sections address the following topics: oblate shapes of rotating, highly excited Zr--Mo nuclei; adiabatic versus motionally narrowed' GDR decay; large spin-driven deformations observed in hot medium-mass nuclei; and search for entrance channel effects in GDR decay following [sup 58]Ni [plus] [sup 92]Zr fusion. 22 refs.

  7. Photoionization study of doubly-excited helium at ultra-high resolution

    Energy Technology Data Exchange (ETDEWEB)

    Kaindl, G.; Schulz, K.; Domke, M. [Freie Universitaet Berlin (Germany)] [and others

    1997-04-01

    Ever since the pioneering work of Madden & Codling and Cooper, Fano & Prats on doubly-excited helium in the early sixties, this system may be considered as prototypical for the study of electron-electron correlations. More detailed insight into these states could be reached only much later, when improved theoretical calculations of the optically-excited {sup 1}P{sup 0} double-excitation states became available and sufficiently high energy resolution ({delta}E=4.0 meV) was achieved. This allowed a systematic investigation of the double-excitation resonances of He up to excitation energies close to the double-ionization threshold, I{sub infinity}=79.003 eV, which stimulated renewed theoretical interest into these correlated electron states. The authors report here on striking progress in energy resolution in this grazing-incidence photon-energy range of grating monochromators and its application to hitherto unobservable states of doubly-excited He. By monitoring an extremely narrow double-excitation resonance of He, with a theoretical lifetime width of less than or equal to 5 {mu}eV, a resolution of {delta}E=1.0 meV (FWHM) at 64.1 eV could be achieved. This ultra-high spectral resolution, combined with high photon flux, allowed the investigation of new Rydberg resonances below the N=3 ionization threshold, I{sub 3}, as well as a detailed comparison with ab-initio calculations.

  8. High-resolution excitation of ions in a low-pressure linear ion trap.

    Science.gov (United States)

    Collings, B A

    2011-01-15

    An exploration of the parameters necessary to obtain high-resolution excitation, using dipolar excitation, of an ion in a linear ion trap has been undertaken in this study. These parameters included ion trap pressure, excitation amplitude, excitation period, drive frequency of the ion trap, Mathieu q value and the mass of the ion of interest. An understanding of how these parameters play a role in high-resolution excitation is necessary to the development of a method for the targeted tandem mass spectrometric (MS/MS) analysis of ions with the same nominal mass. Resonance excitation profiles with full width half maxima as narrow as 0.015 m/z units could be obtained, under the right conditions, for an ion from a homogenously substituted triazatriphosphorine at m/z 322.049, which translates into a mass resolution of >21 500. In this particular case the requirement for high resolution was a low trap pressure (3.8 × 10(-5) Torr), low excitation amplitude (3 mV), long excitation period (100 ms) and a high Mathieu q value(0.8) when using a drive frequency of 1.228 MHz. Similar conditions were used to demonstrate the isolation of individual [M + H](+) component ions from mixtures of bromazepam (m/z 316.008)/chlorprothixene (m/z 316.0921)/fendiline (m/z 316.206) and chlorprothixene (m/z 316.0921)/oxycodone (m/z 316.1543)/fendiline (m/z 316.206) prior to obtaining product ion spectra with excitation at q = 0.236. In the former mixture the individual components were isolated with near 100% efficiency while in the latter mixture the isolation efficiency dropped to near 50% for the oxycodone component and to 80% for the other components. Copyright © 2010 John Wiley & Sons, Ltd.

  9. Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening

    Science.gov (United States)

    Xia, Menghang; Huang, Ruili; Witt, Kristine L.; Southall, Noel; Fostel, Jennifer; Cho, Ming-Hsuang; Jadhav, Ajit; Smith, Cynthia S.; Inglese, James; Portier, Christopher J.; Tice, Raymond R.; Austin, Christopher P.

    2008-01-01

    Background The propensity of compounds to produce adverse health effects in humans is generally evaluated using animal-based test methods. Such methods can be relatively expensive, low-throughput, and associated with pain suffered by the treated animals. In addition, differences in species biology may confound extrapolation to human health effects. Objective The National Toxicology Program and the National Institutes of Health Chemical Genomics Center are collaborating to identify a battery of cell-based screens to prioritize compounds for further toxicologic evaluation. Methods A collection of 1,408 compounds previously tested in one or more traditional toxicologic assays were profiled for cytotoxicity using quantitative high-throughput screening (qHTS) in 13 human and rodent cell types derived from six common targets of xenobiotic toxicity (liver, blood, kidney, nerve, lung, skin). Selected cytotoxicants were further tested to define response kinetics. Results qHTS of these compounds produced robust and reproducible results, which allowed cross-compound, cross-cell type, and cross-species comparisons. Some compounds were cytotoxic to all cell types at similar concentrations, whereas others exhibited species- or cell type–specific cytotoxicity. Closely related cell types and analogous cell types in human and rodent frequently showed different patterns of cytotoxicity. Some compounds inducing similar levels of cytotoxicity showed distinct time dependence in kinetic studies, consistent with known mechanisms of toxicity. Conclusions The generation of high-quality cytotoxicity data on this large library of known compounds using qHTS demonstrates the potential of this methodology to profile a much broader array of assays and compounds, which, in aggregate, may be valuable for prioritizing compounds for further toxicologic evaluation, identifying compounds with particular mechanisms of action, and potentially predicting in vivo biological response. PMID:18335092

  10. Study of ultra-high gradient wakefield excitation by intense ultrashort laser pulses in plasma

    Science.gov (United States)

    Kotaki, Hideyuki; Kando, Masaki; Oketa, Takatsugu; Masuda, Shinichi; Koga, James K.; Kondo, Shuji; Kanazawa, Shuhei; Yokoyama, Takashi; Matoba, Toru; Nakajima, Kazuhisa

    2002-10-01

    We investigate a laser wakefield excited by intense laser pulses, and the possibility of generating an intense bright electron source by an intense laser pulse. The coherent wakefield excited by 2 TW, 50 fs laser pulses in a gas-jet plasma around 1018 cm-3 is measured with a time-resolved frequency domain interferometer (FDI). The results show an accelerating wakefield excitation of 20 GeV/m with good coherency. This is the first time-resolved measurement of laser wakefield excitation in a gas-jet plasma. The experimental results agree with the simulation results and linear theory. The pump-probe interferometer system of FDI will be modified to the optical injection system as a relativistic electron beam injector. In 1D particle in cell simulation we obtain results of high quality intense electron beam generation.

  11. Trapping of Organochlorine Compounds in High Mountain Lakes

    Directory of Open Access Journals (Sweden)

    Joan O. Grimalt

    2001-01-01

    Full Text Available High mountain areas have recently been observed to be polluted by organochlorine compounds (OC despite their isolation. These persistent pollutants arrive at these remote regions through atmospheric transport. However, the mechanisms involving the accumulation of these compounds from the atmospheric pool to the lacustrine systems still need to be elucidated. These mechanisms must be related to the processes involving the transfer of these pollutant from low to high latitudes[1] as described in the global distillation effect[2].

  12. High excitation rovibrational molecular analysis in warm environments

    Science.gov (United States)

    Zhang, Ziwei; Stancil, Phillip C.; Cumbee, Renata; Ferland, Gary J.

    2017-06-01

    Inspired by advances in infrared observation (e.g., Spitzer, Herschel and ALMA), we investigate rovibrational emission CO and SiO in warm astrophysical environments. With recent innovation in collisional rate coefficients and rescaling methods, we are able to construct more comprehensive collisional data with high rovibrational states (vibration up to v=5 and rotation up to J=40) and multiple colliders (H2, H and He). These comprehensive data sets are used in spectral simulations with the radiative transfer codes RADEX and Cloudy. We obtained line ratio diagnostic plots and line spectra for both near- and far-infrared emission lines over a broad range of density and temperature for the case of a uniform medium. Considering the importance of both molecules in probing conditions and activities of UV-irradiated interstellar gas, we model rovibrational emission in photodissociation region (PDR) and AGB star envelopes (such as VY Canis Majoris, IK Tau and IRC +10216) with Cloudy. Rotational diagrams, energy distribution diagrams, and spectra are produced to examine relative state abundances, line emission intensity, and other properties. With these diverse models, we expect to have a better understanding of PDRs and expand our scope in the chemical architecture and evolution of AGB stars and other UV-irradiated regions. The soon to be launched James Webb Space Telescope (JWST) will provide high resolution observations at near- to mid-infrared wavelengths, which opens a new window to study molecular vibrational emission calling for more detailed chemical modeling and comprehensive laboratory astrophysics data on more molecules. This work was partially supported by NASA grants NNX12AF42G and NNX15AI61G. We thank Benhui Yang, Kyle Walker, Robert Forrey, and N. Balakrishnan for collaborating on the collisional data adopted in the current work.

  13. Excitation of plasma waves by nonlinear currents induced by a high-frequency electromagnetic pulse

    Energy Technology Data Exchange (ETDEWEB)

    Grishkov, V. E.; Uryupin, S. A., E-mail: uryupin@sci.lebedev.ru [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation)

    2017-03-15

    Excitation of plasma waves by nonlinear currents induced by a high-frequency electromagnetic pulse is analyzed within the kinetic approach. It is shown that the most efficient source of plasma waves is the nonlinear current arising due to the gradient of the energy density of the high-frequency field. Generation of plasma waves by the drag current is usually less efficient but not negligibly small at relatively high frequencies of electron–ion collisions. The influence of electron collisions on the excitation of plasma waves by pulses of different duration is described quantitatively.

  14. Plasma channel undulator excited by high-order laser modes

    Science.gov (United States)

    Wang, Jingwei; Schroeder, Carl; Zepf, Matt; Rykovanov, Sergey

    2017-10-01

    The possibility of utilizing plasma undulators and plasma accelerators to produce compact and economical ultraviolet and X-ray radiation sources has attracted considerable interest for a few decades. This interest has been driven by the great potential to decrease the threshold for accessing such sources, which are now mainly provided by a very few dedicated large-scale synchrotron or free-electron laser (FEL) facilities. However, the typically broad radiation bandwidth of such plasma devices limits the source brightness and makes it difficult for the FEL instability to develop. Here, using multi-dimensional electromagnetic particle-in-cell simulations, we demonstrate that a plasma undulator generated by the beating of a mixture of high-order laser modes propagating inside a plasma channel, leads to a few percent radiation bandwidth. The strength of the undulator can reach unity, the period can be less than a millimeter, and the total number of undulator periods can be significantly increased by a phase locking technique based on the longitudinal density modulation. According to analytical estimates and simulations, in the fully beam loaded regime, the electron current in the undulator can reach 0.3 kA, making such an undulator a potential candidate towards a table-top FEL.

  15. High spin spectroscopy near the N=Z line: Channel selection and excitation energy systematics

    Energy Technology Data Exchange (ETDEWEB)

    Svensson, C.E.; Cameron, J.A.; Flibotte, S. [McMaster Univ., Ontario (Canada)] [and others

    1996-12-31

    The total {gamma}-ray and charged-particle energies emitted in fusion-evaporation reactions leading to N=Z compound systems in the A = 50-70 mass region have been measured with the 8{pi} {gamma}-ray spectrometer and the miniball charged-particle detector array. A new method of channel selection has been developed which combines particle identification with these total energy measurements and greatly improves upon the selectivity possible with particle detection alone. In addition, the event by event measurement of total {gamma}-ray energies using the BGO ball of the 8{pi} spectrometer has allowed a determination of excitation energies following particle evaporation for a large number of channels in several different reactions. The new channel selection procedure and excitation energy systematics are illustrated with data from the reaction of {sup 24}Mg on {sup 40}Ca at E{sub lab} = 80MeV.

  16. Highly Efficient Excitation of Surface Plasmons Using a Si Gable Tip

    CERN Document Server

    Dewanjee, Arnab; Aitchison, J Stewart; Mojahedi, Mo

    2016-01-01

    We propose a novel technique to efficiently excite a surface plasmon polariton (SPP) mode at a gold-glass interface by using an engineered high index (silicon) gabled tip at the telecom wavelengths. The proposed structure can theoretically convert 49% of the input optical power to a SPP mode. Also we experimentally validate the effective high efficiency coupling by the gabled tip. The device is compact, it will facilitate the on-chip excitation of the SPP, its fabrication is compatible with the standard Si fabrication processes, and as such, it is expected to be useful in the design of future integrated sensors.

  17. High frequency excitation waveform for efficient operation of a xenon excimer dielectric barrier discharge lamp

    Science.gov (United States)

    Beleznai, Sz; Mihajlik, G.; Maros, I.; Balázs, L.; Richter, P.

    2010-01-01

    The application of a high frequency (~2.5 MHz) burst (amplitude-modulated sinusoidal) excitation voltage waveform is investigated for driving a fluorescent dielectric barrier discharge (DBD) light source. The excitation waveform presents a novel method for generating spatially stable homogeneous Xe DBD possessing a high conversion efficiency from electrical energy to VUV Xe_{2}^{\\ast} excimer radiation (~172 nm), even at a significantly higher electrical energy deposition than realized by pulsed excitation. Simulation and experimental results predict discharge efficiencies around 60%. Lamp efficacy above 74 lm W-1 has been achieved. VUV emission and loss mechanisms are investigated extensively and the performance of burst and pulsed waveforms is compared both theoretically and experimentally.

  18. High frequency excitation waveform for efficient operation of a xenon excimer dielectric barrier discharge lamp

    Energy Technology Data Exchange (ETDEWEB)

    Beleznai, Sz; Mihajlik, G; Richter, P [Department of Atomic Physics, Budapest University of Technology and Economics, 3-9.Muegyetem rkp., Budapest H-1111 (Hungary); Maros, I; Balazs, L, E-mail: beleznai@dept.phy.bme.h [GE Consumer and Industrial-Lighting, 77 Vaci ut, Budapest H-1344 (Hungary)

    2010-01-13

    The application of a high frequency ({approx}2.5 MHz) burst (amplitude-modulated sinusoidal) excitation voltage waveform is investigated for driving a fluorescent dielectric barrier discharge (DBD) light source. The excitation waveform presents a novel method for generating spatially stable homogeneous Xe DBD possessing a high conversion efficiency from electrical energy to VUV Xe{sub 2}{sup *} excimer radiation ({approx}172 nm), even at a significantly higher electrical energy deposition than realized by pulsed excitation. Simulation and experimental results predict discharge efficiencies around 60%. Lamp efficacy above 74 lm W{sup -1} has been achieved. VUV emission and loss mechanisms are investigated extensively and the performance of burst and pulsed waveforms is compared both theoretically and experimentally.

  19. Stark-induced adiabatic Raman ladder for preparing highly vibrationally excited quantum states of molecular hydrogen

    Science.gov (United States)

    Mukherjee, Nandini; Perreault, William E.; Zare, Richard N.

    2017-07-01

    We present a multi-color ladder excitation scheme that exploits Stark-induced adiabatic Raman passage to selectively populate a highly excited vibrational level of a molecule. We suggest that this multi-color coherent ladder excitation provides a practical way of accessing levels near the vibrational dissociation limit as well as the dissociative continuum, which would allow the generation of an entangled pair of fragments with near-zero relative kinetic energy. Specifically, we consider four- and six-photon coherent excitation of molecular hydrogen to high vibrational levels via intermediate vibrational levels, which are pairwise coupled by two-photon resonant interaction. Using a sequence of three partially overlapping, single-mode, nanosecond laser pulses we show that the sixth vibrational level of H2, which is too weakly coupled to be easily accessed by direct two-photon Raman excitation from the ground vibrational level, can be efficiently populated without leaving any population stranded in the intermediate level. Furthermore, we show that the fourteenth vibrational level of H2, which is the highest vibrational level in the ground electronic state with a binding energy of 22 meV, can be efficiently and selectively populated using a sequence of four pulses. The present technique offers the unique possibility of preparing entangled quantum states of H atoms without resorting to an ultracold system.

  20. Onion: Anti Cancer Sulfur Compounds with High Cancer Chemo ...

    African Journals Online (AJOL)

    Onions are chock full of anti cancer sulfur compounds which are highly beneficial for cancer chemoprevention. Advanced studies have shown that onion may be inhibit liver, colon, prostate, lung cancer etc. with high antioxidant properties which also reduce not only oxidative stress, free radicals but also xenobiotics.

  1. Thermodynamical analysis of spin-state transitions in LaCo O3 : Negative energy of mixing to assist thermal excitation to the high-spin excited state

    Science.gov (United States)

    Kyômen, Tôru; Asaka, Yoshinori; Itoh, Mitsuru

    2005-01-01

    Magnetic susceptibility and heat capacity due to the spin-state transition in LaCoO3 were calculated by a molecular-field model in which the energy-level diagram of high-spin state reported by Ropka and Radwanski [Phys. Rev. B 67, 172401 (2003)] is assumed for the excited state, and the energy and entropy of mixing of high-spin Co ions and low-spin Co ions are introduced phenomenologically. The experimental data below 300K were well reproduced by this model, which proposes that the high-spin excited state can be populated even if the energy of high-spin state is much larger than that of low-spin state, because the negatively large energy of mixing reduces the net excitation energy. The stability of each spin state including the intermediate-spin state is discussed based on the present results and other reports.

  2. Nontrivial effects of high-frequency excitation for strongly damped mechanical systems

    DEFF Research Database (Denmark)

    Fidlin, Alexander; Thomsen, Jon Juel

    substantially with the level of damping. For example, a strongly damped pendulum, with a hinge vibrated at high frequency along an elliptical path with horizontal or vertical axis, will line up along a line offset from the vertical; the offset vanishes for very light or very strong damping, attaining a maximum...... on a slightly modified averaging technique, and includes an elementary example of an elliptically excited pendulum for illustration, alongside with a generalization to a broader class of strongly damped dynamical systems with HF excitation. As an application example, the nontrivial behavior of a classical...

  3. Nontrivial effects of high-frequency excitation for strongly damped mechanical systems

    DEFF Research Database (Denmark)

    Fidlin, Alexander; Thomsen, Jon Juel

    2008-01-01

    substantially with the level of damping. For example, a strongly damped pendulum, with a hinge vibrated at high frequency along an elliptical path with horizontal or vertical axis, will line up along a line offset from the vertical; the offset vanishes for very light or very strong damping, attaining a maximum...... modified averaging technique, and includes an elementary example of an elliptically excited pendulum for illustration, alongside with a generalization to a broader class of strongly damped dynamical systems with HF excitation. As an application example, the nontrivial behavior of a classical optimally...

  4. Validity of Eucken formula and Stokes’ viscosity relation in high-temperature electronically excited gases

    Energy Technology Data Exchange (ETDEWEB)

    Istomin, V. A.; Kustova, E. V.; Mekhonoshina, M. A. [Department of Mathematics and Mechanics, Saint Petersburg State University, 198504 Universitetskiy pr., 28, Saint Petersburg (Russian Federation)

    2014-12-09

    In the present work we evaluate the accuracy of the Eucken formula and Stokes’ viscosity relation in high temperature non-equilibrium air species with electronic excitation. The thermal conductivity coefficient calculated using the exact kinetic theory methods is compared with that obtained applying approximate formulas in the temperature range 200–20000 K. A modification of the Eucken formula providing a good agreement with exact calculations is proposed. It is shown that the Stokes viscosity relation is not valid in electronically excited monoatomic gases at temperatures higher than 2000 K.

  5. Collision dynamics of methyl radicals and highly vibrationally excited molecules using crossed molecular beams

    Energy Technology Data Exchange (ETDEWEB)

    Chu, P.M.Y.

    1991-10-01

    The vibrational to translational (V{yields}T) energy transfer in collisions between large highly vibrationally excited polyatomics and rare gases was investigated by time-of-flight techniques. Two different methods, UV excitation followed by intemal conversion and infrared multiphoton excitation (IRMPE), were used to form vibrationally excited molecular beams of hexafluorobenzene and sulfur hexafluoride, respectively. The product translational energy was found to be independent of the vibrational excitation. These results indicate that the probability distribution function for V{yields}T energy transfer is peaked at zero. The collisional relaxation of large polyatomic molecules with rare gases most likely occurs through a rotationally mediated process. Photodissociation of nitrobenzene in a molecular beam was studied at 266 nm. Two primary dissociation channels were identified including simple bond rupture to produce nitrogen dioxide and phenyl radical and isomerization to form nitric oxide and phenoxy radical. The time-of-flight spectra indicate that simple bond rupture and isomerization occurs via two different mechanisms. Secondary dissociation of the phenoxy radicals to carbon monoxide and cyclopentadienyl radicals was observed as well as secondary photodissociation of phenyl radical to give H atom and benzyne. A supersonic methyl radical beam source is developed. The beam source configuration and conditions were optimized for CH{sub 3} production from the thermal decomposition of azomethane. Elastic scattering of methyl radical and neon was used to differentiate between the methyl radicals and the residual azomethane in the molecular beam.

  6. Collision dynamics of methyl radicals and highly vibrationally excited molecules using crossed molecular beams

    Energy Technology Data Exchange (ETDEWEB)

    Chu, Pamela Mei-Ying [Univ. of California, Berkeley, CA (United States)

    1991-10-01

    The vibrational to translational (V→T) energy transfer in collisions between large highly vibrationally excited polyatomics and rare gases was investigated by time-of-flight techniques. Two different methods, UV excitation followed by intemal conversion and infrared multiphoton excitation (IRMPE), were used to form vibrationally excited molecular beams of hexafluorobenzene and sulfur hexafluoride, respectively. The product translational energy was found to be independent of the vibrational excitation. These results indicate that the probability distribution function for V→T energy transfer is peaked at zero. The collisional relaxation of large polyatomic molecules with rare gases most likely occurs through a rotationally mediated process. Photodissociation of nitrobenzene in a molecular beam was studied at 266 nm. Two primary dissociation channels were identified including simple bond rupture to produce nitrogen dioxide and phenyl radical and isomerization to form nitric oxide and phenoxy radical. The time-of-flight spectra indicate that simple bond rupture and isomerization occurs via two different mechanisms. Secondary dissociation of the phenoxy radicals to carbon monoxide and cyclopentadienyl radicals was observed as well as secondary photodissociation of phenyl radical to give H atom and benzyne. A supersonic methyl radical beam source is developed. The beam source configuration and conditions were optimized for CH3 production from the thermal decomposition of azomethane. Elastic scattering of methyl radical and neon was used to differentiate between the methyl radicals and the residual azomethane in the molecular beam.

  7. Dispersive excitations in the high-temperature superconductor La2-xSrxCuO4

    DEFF Research Database (Denmark)

    Christensen, N.B.; McMorrow, D.F.; Rønnow, H.M.

    2004-01-01

    High-resolution neutron scattering experiments on optimally doped La(2-x)Sr(x)CuO(4) (x=0.16) reveal that the magnetic excitations are dispersive. The dispersion is the same as in YBa(2)Cu(3)O(6.85), and is quantitatively related to that observed with charge sensitive probes. The associated veloc...

  8. Low energy nuclear spin excitations in Ho metal investigated by high resolution neutron spectroscopy.

    Science.gov (United States)

    Chatterji, Tapan; Jalarvo, Niina

    2013-04-17

    We have investigated the low energy excitations in metallic Ho by high resolution neutron spectroscopy. We found at T = 3 K clear inelastic peaks in the energy loss and energy gain sides, along with the central elastic peak. The energy of this low energy excitation, which is 26.59 ± 0.02 μeV at T = 3 K, decreased continuously and became zero at TN ≈ 130 K. By fitting the data in the temperature range 100-127.5 K with a power law we obtained the power-law exponent β = 0.37 ± 0.02, which agrees with the expected value β = 0.367 for a three-dimensional Heisenberg model. Thus the energy of the low energy excitations can be associated with the order parameter.

  9. Highly mobile gapless excitations in a two-dimensional candidate quantum spin liquid.

    Science.gov (United States)

    Yamashita, Minoru; Nakata, Norihito; Senshu, Yoshinori; Nagata, Masaki; Yamamoto, Hiroshi M; Kato, Reizo; Shibauchi, Takasada; Matsuda, Yuji

    2010-06-04

    The nature of quantum spin liquids, a novel state of matter where strong quantum fluctuations destroy the long-range magnetic order even at zero temperature, is a long-standing issue in physics. We measured the low-temperature thermal conductivity of the recently discovered quantum spin liquid candidate, the organic insulator EtMe3Sb[Pd(dmit)2]2. A sizable linear temperature dependence term is clearly resolved in the zero-temperature limit, indicating the presence of gapless excitations with an extremely long mean free path, analogous to excitations near the Fermi surface in pure metals. Its magnetic field dependence suggests a concomitant appearance of spin-gap-like excitations at low temperatures. These findings expose a highly unusual dichotomy that characterizes the low-energy physics of this quantum system.

  10. Simplified Production of Organic Compounds Containing High Enantiomer Excesses

    Science.gov (United States)

    Cooper, George W. (Inventor)

    2015-01-01

    The present invention is directed to a method for making an enantiomeric organic compound having a high amount of enantiomer excesses including the steps of a) providing an aqueous solution including an initial reactant and a catalyst; and b) subjecting said aqueous solution simultaneously to a magnetic field and photolysis radiation such that said photolysis radiation produces light rays that run substantially parallel or anti-parallel to the magnetic field passing through said aqueous solution, wherein said catalyst reacts with said initial reactant to form the enantiomeric organic compound having a high amount of enantiomer excesses.

  11. Compound

    Indian Academy of Sciences (India)

    UV-vis spectra showing solvent effects on compounds (6). Figure S4. UV-vis spectra showing solvent effects on compounds (9). Figure S5. UV-vis spectra showing solvent ___, acidic--- and basic -□- effects on compound (8) in CH2Cl2 solution. Table S1. 1H and 13C NMR spectral data of salicylaldimine Schiff bases (5-8).

  12. The effect of high pressure on nitrogen compounds of milk

    Energy Technology Data Exchange (ETDEWEB)

    Kielczewska, Katarzyna [Institute of Dairy Science and Technology Development, Warmia and Masuria University in Olsztyn, Hevelius 1 Street, 10-957 Olsztyn (Poland); Czerniewicz, Maria [Institute of Dairy Science and Technology Development, Warmia and Masuria University in Olsztyn, Hevelius 1 Street, 10-957 Olsztyn (Poland); Michalak, Joanna [Chair of Instrumental Analysis, Warmia and Masuria University in Olsztyn, Hevelius 1 Street, 10-957 Olsztyn (Poland); Brandt, Waldemar [Institute of Dairy Science and Technology Development, Warmia and Masuria University in Olsztyn, Hevelius 1 Street, 10-957 Olsztyn (Poland)

    2004-04-14

    The effect of pressurization at different pressures (from 200 to 1000 MPa, at 200 MPa intervals, t{sub const.} = 15 min) and periods of time (from 15 to 35 min, at 10 min intervals, p{sub const.} = 800 MPa) on the changes of proteins and nitrogen compounds of skimmed milk was studied. The pressurization caused an increase in the amount of soluble casein and denaturation of whey proteins. The level of nonprotein nitrogen compounds and proteoso-peptone nitrogen compounds increased as a result of the high-pressure treatment. These changes increased with an increase in pressure and exposure time. High-pressure treatment considerably affected the changes in the conformation of milk proteins, which was reflected in the changes in the content of proteins sedimenting and an increase in their degree of hydration.

  13. High frequency magnetic eigen excitations in a spin valve submitted to CPP DC current

    Energy Technology Data Exchange (ETDEWEB)

    Mistral, Q. [Institut d' Electronique Fondamentale, CNRS UMR 8622, Bat 220, Universite Paris-Sud, Centre d' Orsay, F91405 Orsay Cedex (France)]. E-mail: mistral@ief.u-psud.fr; Deac, A. [SPINTEC, URA CEA/CNRS, CEA Grenoble/DRFMC, 17 Rue des Martyrs, 38054 Grenoble Cedex 9 (France); Grollier, J. [Institut d' Electronique Fondamentale, CNRS UMR 8622, Bat 220, Universite Paris-Sud, Centre d' Orsay, F91405 Orsay Cedex (France); Redon, O. [SPINTEC, URA CEA/CNRS, CEA Grenoble/DRFMC, 17 Rue des Martyrs, 38054 Grenoble Cedex 9 (France); Liu, Y. [Headway, 678 Hillview Dr., Milpitas, CA 95035 (United States); Li, M. [Headway, 678 Hillview Dr., Milpitas, CA 95035 (United States); Wang, P. [Headway, 678 Hillview Dr., Milpitas, CA 95035 (United States); Dieny, B. [SPINTEC, URA CEA/CNRS, CEA Grenoble/DRFMC, 17 Rue des Martyrs, 38054 Grenoble Cedex 9 (France); Devolder, T. [Institut d' Electronique Fondamentale, CNRS UMR 8622, Bat 220, Universite Paris-Sud, Centre d' Orsay, F91405 Orsay Cedex (France)

    2006-01-25

    We study the magnetization dynamics induced at low field by spin-transfer in a pillar-shaped spin valve. The spin valve is a square of 150 nmx 150 nm patterned from a film of IrMn 7 nm/CoFe, 2.4 nm/Ru, 0.8 nm/CoFe, 4.4 nm/Cu, 2.6 nm/CoFe, and 3.6 nm. The spin valve is studied in its anti-parallel state at 50 K. The high frequency voltage noise generated by the DC current flowing through the magneto-resistive device is used to identify the excitations induced by spin-transfer. Between an instability current of 1.72 mA and the switching current of 1.89 mA, we demonstrate the existence of pre-switch steady-state excitations, i.e. low amplitude precession. We study the frequency (10 GHz, red shift -1.46 GHz/mA) of this excitation, its line width (78-246 MHz), the power it carries (113 nW), and the current dependance thereof. We discuss those experimental findings using the formalism of Sun et al. and Valet et al., and show that the experimental behavior can be described by a macrospin approximation only at the very onset of the pre-switch excitations. The early saturation of the excitation power and the non-monotonic switching probability with the current are experimental indications that the pre-switch excitations are strongly non-uniform when approaching the switching current.

  14. A Spectral Finite Element Approach to Modeling Soft Solids Excited with High-Frequency Harmonic Loads

    Science.gov (United States)

    Brigham, John C.; Aquino, Wilkins; Aguilo, Miguel A.; Diamessis, Peter J.

    2010-01-01

    An approach for efficient and accurate finite element analysis of harmonically excited soft solids using high-order spectral finite elements is presented and evaluated. The Helmholtz-type equations used to model such systems suffer from additional numerical error known as pollution when excitation frequency becomes high relative to stiffness (i.e. high wave number), which is the case, for example, for soft tissues subject to ultrasound excitations. The use of high-order polynomial elements allows for a reduction in this pollution error, but requires additional consideration to counteract Runge's phenomenon and/or poor linear system conditioning, which has led to the use of spectral element approaches. This work examines in detail the computational benefits and practical applicability of high-order spectral elements for such problems. The spectral elements examined are tensor product elements (i.e. quad or brick elements) of high-order Lagrangian polynomials with non-uniformly distributed Gauss-Lobatto-Legendre nodal points. A shear plane wave example is presented to show the dependence of the accuracy and computational expense of high-order elements on wave number. Then, a convergence study for a viscoelastic acoustic-structure interaction finite element model of an actual ultrasound driven vibroacoustic experiment is shown. The number of degrees of freedom required for a given accuracy level was found to consistently decrease with increasing element order. However, the computationally optimal element order was found to strongly depend on the wave number. PMID:21461402

  15. Green chemistry: highly selective biocatalytic hydrolysis of nitrile compounds

    CSIR Research Space (South Africa)

    Brady, D

    2006-09-01

    Full Text Available The application of highly substrate-specific catalysts, such as biocatalysts, can reduce the number of synthetic steps required to generate organic compounds. A wide range of bacteria and yeast cultures were enriched on nitriles as the sole source...

  16. A proposal for fs-electron microscopy experiments on high-energy excitations in solids.

    Science.gov (United States)

    Piazza, L; Musumeci, P; Luiten, O J; Carbone, Fabrizio

    2014-08-01

    Recent advances in ultrafast technology enable both the study and the control of materials properties thanks to the ability to record high temporal resolution movies of their transformations, or the ability to generate new states of matter by selecting ad hoc an excitation to drive the system out of equilibrium. The holy grail of this type of experiments is to combine a high tuneability of the excitation with a wide observation window. For example, this is achieved in multidimensional optical spectroscopy where the response to several excitation energies is monitored in a broad energy range by a large bandwidth optical pulse. In this article, the possibility to combine the chemical sensitivity of intense tuneable X-rays pulses from a free electron laser, with the wide range of observables available in an ultrafast transmission electron microscope is discussed. The requirements for such experiments are quantified via estimates based on state of the art experiments and simulations, and it is proposed that ultrafast electron imaging, diffraction and spectroscopy experiments can be performed in combination with a chemically selective X-ray excitation of materials. Copyright © 2014 The Authors. Published by Elsevier Ltd.. All rights reserved.

  17. High spin ↔ low spin ultrafast excitation and relaxation of an isolated iron(II complex.

    Directory of Open Access Journals (Sweden)

    Létard J.F.

    2013-03-01

    Full Text Available Picosecond and femtosecond time resolved pump-probe experiments make it possible to study both the low spin (LS to high spin (HS and high spin to low spin excitation and relaxation processes in the same isolated iron(II complex. We demonstrate that both LS → HS and HS → LS can be recorded by changing the pump wavelength and occur on the same time scale.

  18. Current status of free radicals and electronically excited metastable species as high energy propellants

    Science.gov (United States)

    Rosen, G.

    1973-01-01

    A survey is presented of free radicals and electronically excited metastable species as high energy propellants for rocket engines. Nascent or atomic forms of diatomic gases are considered free radicals as well as the highly reactive diatomic triatomic molecules that posess unpaired electrons. Manufacturing and storage problems are described, and a review of current experimental work related to the manufacture of atomic hydrogen propellants is presented.

  19. A stable compound of helium and sodium at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Xiao; Oganov, Artem R.; Goncharov, Alexander F.; Stavrou, Elissaios; Lobanov, Sergey; Saleh, Gabriele; Qian, Guang-Rui; Zhu, Qiang; Gatti, Carlo; Deringer, Volker L.; Dronskowski, Richard; Zhou, Xiang-Feng; Prakapenka, Vitali B.; Konôpková, Zuzana; Popov, Ivan A.; Boldyrev, Alexander I.; Wang, Hui-Tian

    2017-02-06

    Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na2He, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes this material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na8 cubes. We also predict the existence of Na2HeO with a similar structure at pressures above 15 GPa.

  20. The Effect of High-Frequency Parametric Excitation on a Stochastically Driven Pantograph-Catenary System

    Directory of Open Access Journals (Sweden)

    R. H. Huan

    2014-01-01

    Full Text Available In high-speed electric trains, a pantograph is mounted on the roof of the train to collect power through contact with an overhead catenary wire. The effect of fast harmonic and parametric excitation on a stochastically driven pantograph-catenary system is studied in this paper. A single-degree-of-freedom model of the pantograph-catenary system is adopted, wherein the stiffness of the nonlinear spring has a time-varying component characterized by both low and high frequencies. Using perturbation and harmonic averaging, a Fokker-Planck-Kolmogorov equation governing the stationary response of the pantograph-catenary system is set up. Based on the transition probability density of the stationary response, it is found that even small high-frequency parametric excitation has an appreciable effect on the system response. Among other things, it shifts the resonant frequency and often changes the response characteristics markedly.

  1. High-density excitation effect on photoluminescence in ZnO nanoparticles

    Science.gov (United States)

    Suzuki, Keigo; Inoguchi, Masashi; Fujita, Koji; Murai, Shunsuke; Tanaka, Katsuhisa; Tanaka, Nobuhiko; Ando, Akira; Takagi, Hiroshi

    2010-06-01

    In this study, photoluminescence (PL) under high excitation intensity as a function of crystalline size was systematically investigated through ZnO nanocrystalline films prepared by spin-coating a colloidal solution of ZnO nanoparticles obtained using the microemulsion method. Annealing of the films at 723, 633, and 593 K allowed us to tune the crystalline radius R. PL studies distinguished different regimes of crystalline size according to the ratio of R to the effective Bohr radius aB(R /aB). For the sample annealed at 723 K (R /aB=7.2), the peak of stimulated emission due to the exciton-exciton collisions appeared on the low-energy side of the exciton emission with an increase in excitation intensity. A further increase in excitation intensity eventually resulted in the occurrence of an electron-hole plasma (EHP) accompanied by consequent band gap renormalization, which indicates that high excitation intensity provokes the dissociation of excitons. For the sample annealed at 633 K (R /aB=4.7), the stimulated emission was observed while the transition to EHP was obscure. For the sample annealed at 593 K (R /aB=2.1), only emissions due to the recombination of the electron-hole pair were observed, and stimulated emission did not appear even when the excitation intensity was increased. The transition from free-exciton emission to donor-bound exciton emission was observed in temperature dependence of PL only for the sample with R /aB=7.2. The origin of annihilation of the stimulated emission with a size reduction is discussed based on nonradiative Auger recombination.

  2. HIGH TEMPERATURE HIGH PRESSURE THERMODYNAMIC MEASUREMENTS FOR COAL MODEL COMPOUNDS

    Energy Technology Data Exchange (ETDEWEB)

    Vinayak N. Kabadi

    1999-02-20

    It is well known that the fluid phase equilibria can be represented by a number of {gamma}-models , but unfortunately most of them do not function well under high temperature. In this calculation, we mainly investigate the performance of UNIQUAC and NRTL models under high temperature, using temperature dependent parameters rather than using the original formulas. the other feature of this calculation is that we try to relate the excess Gibbs energy G{sup E}and enthalpy of mixing H{sup E}simultaneously. In other words, we will use the high temperature and pressure G{sup E} and H{sup E}data to regress the temperature dependant parameters to find out which model and what kind of temperature dependant parameters should be used.

  3. Stand-Alone Front-End System for High-Frequency, High-Frame-Rate Coded Excitation Ultrasonic Imaging

    Science.gov (United States)

    Park, Jinhyoung; Hu, Changhong; Shung, K. Kirk

    2012-01-01

    A stand-alone front-end system for high-frequency coded excitation imaging was implemented to achieve a wider dynamic range. The system included an arbitrary waveform amplifier, an arbitrary waveform generator, an analog receiver, a motor position interpreter, a motor controller and power supplies. The digitized arbitrary waveforms at a sampling rate of 150 MHz could be programmed and converted to an analog signal. The pulse was subsequently amplified to excite an ultrasound transducer, and the maximum output voltage level achieved was 120 Vpp. The bandwidth of the arbitrary waveform amplifier was from 1 to 70 MHz. The noise figure of the preamplifier was less than 7.7 dB and the bandwidth was 95 MHz. Phantoms and biological tissues were imaged at a frame rate as high as 68 frames per second (fps) to evaluate the performance of the system. During the measurement, 40-MHz lithium niobate (LiNbO3) single-element lightweight (<0.28 g) transducers were utilized. The wire target measurement showed that the −6-dB axial resolution of a chirp-coded excitation was 50 µm and lateral resolution was 120 µm. The echo signal-to-noise ratios were found to be 54 and 65 dB for the short burst and coded excitation, respectively. The contrast resolution in a sphere phantom study was estimated to be 24 dB for the chirp-coded excitation and 15 dB for the short burst modes. In an in vivo study, zebrafish and mouse hearts were imaged. Boundaries of the zebrafish heart in the image could be differentiated because of the low-noise operation of the implemented system. In mouse heart images, valves and chambers could be readily visualized with the coded excitation. PMID:23443698

  4. Persistent high-energy spin excitations in iron-pnictide superconductors.

    Science.gov (United States)

    Zhou, Ke-Jin; Huang, Yao-Bo; Monney, Claude; Dai, Xi; Strocov, Vladimir N; Wang, Nan-Lin; Chen, Zhi-Guo; Zhang, Chenglin; Dai, Pengcheng; Patthey, Luc; van den Brink, Jeroen; Ding, Hong; Schmitt, Thorsten

    2013-01-01

    Motivated by the premise that superconductivity in iron-based superconductors is unconventional and mediated by spin fluctuations, an intense research effort has been focused on characterizing the spin-excitation spectrum in the magnetically ordered parent phases of the Fe pnictides and chalcogenides. For these undoped materials, it is well established that the spin-excitation spectrum consists of sharp, highly dispersive magnons. The fate of these high-energy magnetic modes upon sizable doping with holes is hitherto unresolved. Here we demonstrate, using resonant inelastic X-ray scattering, that optimally hole-doped superconducting Ba(0.6)K(0.4)Fe(2)As(2) retains well-defined, dispersive high-energy modes of magnetic origin. These paramagnon modes are softer than, though as intense as, the magnons of undoped antiferromagnetic BaFe(2)As(2). The persistence of spin excitations well into the superconducting phase suggests that the spin fluctuations in Fe-pnictide superconductors originate from a distinctly correlated spin state. This connects Fe pnictides to cuprates, for which, in spite of fundamental electronic structure differences, similar paramagnons are present.

  5. High-value compounds from microalgae with industrial exploitability - A review .

    Science.gov (United States)

    Bilal, Muhammad; Rasheed, Tahir; Ahmed, Ishtiaq; Iqbal, Hafiz M N

    2017-06-01

      From the past several years, algal biotechnology has gained noticeable interests among research-based organizations and industrial sectors. Recent studies have provided considerable evidence that microalgae-derived bioactive compounds could play a vital role in bio- and non-bio sectors of the modern world. Microalgae-based industrial exploitability ranges from basic biomass-based food and feeds nutraceuticals to high-value pharmaceuticals, cosmeceuticals, ecological and biomedical applications. With ever increasing scientific knowledge, social and environmental awareness, bio-inspired synthesis of microalgae-based green products, and recent advancements in algal biotechnology will extend the utilization of microalgae into new areas. Microalgae offer high biodiversity with an enormous potential to produce structurally complex yet bioactive compounds which are either impossible or difficult to produce via synthetic routes. In this paper, a range of value-added bioactive compounds from microalgae with industrial potentialities has been reviewed. The contribution ended with a critical description of the main research gaps and envisioned with future considerations to progress further in this exciting era of research.

  6. HIGH TEMPERATURE HIGH PRESSURE THERMODYNAMIC MEASUREMENTS FOR COAL MODEL COMPOUNDS

    Energy Technology Data Exchange (ETDEWEB)

    Vinayak N. Kabadi

    2000-05-01

    The Vapor Liquid Equilibrium measurement setup of this work was first established several years ago. It is a flow type high temperature high pressure apparatus which was designed to operate below 500 C temperature and 2000 psia pressure. Compared with the static method, this method has three major advantages: the first is that large quantity of sample can be obtained from the system without disturbing the equilibrium state which was established before; the second is that the residence time of the sample in the equilibrium cell is greatly reduced, thus decomposition or contamination of the sample can be effectively prevented; the third is that the flow system allows the sample to degas as it heats up since any non condensable gas will exit in the vapor stream, accumulate in the vapor condenser, and not be recirculated. The first few runs were made with Quinoline-Tetralin system, the results were fairly in agreement with the literature data . The former graduate student Amad used the same apparatus acquired the Benzene-Ethylbenzene system VLE data. This work used basically the same setup (several modifications had been made) to get the VLE data of Ethylbenzene-Quinoline system.

  7. Engineering biosynthesis of high-value compounds in photosynthetic organisms.

    Science.gov (United States)

    O'Neill, Ellis C; Kelly, Steven

    2017-09-01

    The photosynthetic, autotrophic lifestyle of plants and algae position them as ideal platform organisms for sustainable production of biomolecules. However, their use in industrial biotechnology is limited in comparison to heterotrophic organisms, such as bacteria and yeast. This usage gap is in part due to the challenges in generating genetically modified plants and algae and in part due to the difficulty in the development of synthetic biology tools for manipulating gene expression in these systems. Plant and algal metabolism, pre-installed with multiple biosynthetic modules for precursor compounds, bypasses the requirement to install these pathways in conventional production organisms, and creates new opportunities for the industrial production of complex molecules. This review provides a broad overview of the successes, challenges and future prospects for genetic engineering in plants and algae for enhanced or de novo production of biomolecules. The toolbox of technologies and strategies that have been used to engineer metabolism are discussed, and the potential use of engineered plants for industrial manufacturing of large quantities of high-value compounds is explored. This review also discusses the routes that have been taken to modify the profiles of primary metabolites for increasing the nutritional quality of foods as well as the production of specialized metabolites, cosmetics, pharmaceuticals and industrial chemicals. As the universe of high-value biosynthetic pathways continues to expand, and the tools to engineer these pathways continue to develop, it is likely plants and algae will become increasingly valuable for the biomanufacturing of high-value compounds.

  8. HIGH TEMPERATURE HIGH PRESSURE THERMODYNAMIC MEASUREMENTS FOR COAL MODEL COMPOUNDS

    Energy Technology Data Exchange (ETDEWEB)

    Vinayak N. Kabadi

    2000-05-01

    The flow VLE apparatus designed and built for a previous project was upgraded and recalibrated for data measurements for this project. The modifications include better and more accurate sampling technique, addition of a digital recorder to monitor temperature and pressure inside the VLE cell, and a new technique for remote sensing of the liquid level in the cell. VLE data measurements for three binary systems, tetralin-quinoline, benzene--ethylbenzene and ethylbenzene--quinoline, have been completed. The temperature ranges of data measurements were 325 C to 370 C for the first system, 180 C to 300 C for the second system, and 225 C to 380 C for the third system. The smoothed data were found to be fairly well behaved when subjected to thermodynamic consistency tests. SETARAM C-80 calorimeter was used for incremental enthalpy and heat capacity measurements for benzene--ethylbenzene binary liquid mixtures. Data were measured from 30 C to 285 C for liquid mixtures covering the entire composition range. An apparatus has been designed for simultaneous measurement of excess volume and incremental enthalpy of liquid mixtures at temperatures from 30 C to 300 C. The apparatus has been tested and is ready for data measurements. A flow apparatus for measurement of heat of mixing of liquid mixtures at high temperatures has also been designed, and is currently being tested and calibrated.

  9. Two-particle excitations in the Hubbard model for high-temperature superconductors. A quantum cluster study

    Energy Technology Data Exchange (ETDEWEB)

    Brehm, Sascha

    2009-02-26

    Two-particle excitations, such as spin and charge excitations, play a key role in high-T{sub c} cuprate superconductors (HTSC). Due to the antiferromagnetism of the parent compound the magnetic excitations are supposed to be directly related to the mechanism of superconductivity. In particular, the so-called resonance mode is a promising candidate for the pairing glue, a bosonic excitation mediating the electronic pairing. In addition, its interactions with itinerant electrons may be responsible for some of the observed properties of HTSC. Hence, getting to the bottom of the resonance mode is crucial for a deeper understanding of the cuprate materials. To analyze the corresponding two-particle correlation functions we develop in the present thesis a new, non-perturbative and parameter-free technique for T=0 which is based on the Variational Cluster Approach (VCA, an embedded cluster method for one-particle Green's functions). Guided by the spirit of the VCA we extract an effective electron-hole vertex from an isolated cluster and use a fully renormalized bubble susceptibility {chi}{sub 0} including the VCA one-particle propagators. Within our new approach, the magnetic excitations of HTSC are shown to be reproduced for the Hubbard model within the relevant strong-coupling regime. Exceptionally, the famous resonance mode occurring in the underdoped regime within the superconductivity-induced gap of spin-flip electron-hole excitations is obtained. Its intensity and hourglass dispersion are in good overall agreement with experiments. Furthermore, characteristic features such as the position in energy of the resonance mode and the difference of the imaginary part of the susceptibility in the superconducting and the normal states are in accord with Inelastic Neutron Scattering (INS) experiments. For the first time, a strongly-correlated parameter-free calculation revealed these salient magnetic properties supporting the S=1 magnetic exciton scenario for the

  10. High-multipole excitations of atoms by twisted photons near phase singularity (Conference Presentation)

    Science.gov (United States)

    Afanasev, Andrei; Carlson, Carl E.; Mukherjee, Asmita

    2016-09-01

    We calculate transition amplitudes and cross sections for excitation of hydrogen-like atoms by the twisted photon states, or photon states with more than one unit of angular momentum projection along the direction of propagation. If the target atom is located at distances of the order of atomic size near the vortex center, the transitions rates into l_f>1 states become comparable with the rates for standard electric dipole transitions. It is shown that when the transition rates are normalized to the local photon flux, the resulting cross sections for l_f>1 are singular near the optical vortex center, i.e., high-multipole excitations take place in the region of zero field intensity near phase singularity. Relation to the "quantum core" concept introduced by Berry and Dennis is discussed.

  11. High mass-resolution electron-ion-ion coincidence measurements on core-excited organic molecules

    CERN Document Server

    Tokushima, T; Senba, Y; Yoshida, H; Hiraya, A

    2001-01-01

    Total electron-ion-ion coincidence measurements on core excited organic molecules have been carried out with high mass resolution by using multimode (reflectron/linear) time-of-flight mass analyzer. From the ion correlation spectra of core excited CH sub 3 OH and CD sub 3 OH, the reaction pathway to form H sub 3 sup + (D sub 3 sup +) is identified as the elimination of three H (D) atoms from the methyl group, not as the inter-group (-CH sub 3 and -OH) interactions. In a PEPIPICO spectrum of acetylacetone (CH sub 3 COCH sub 2 COCH sub 3) measured by using a reflectron TOF, correlations between ions up to mass number 70 with one-mass resolution was recorded.

  12. THz magneto-electric excitations in the chiral compound Ba3NbFe3Si2O14

    Science.gov (United States)

    de Brion, Sophie; Chaix, Laura; Levy-Bertrand, Florence; Simonet, Virginie; Ballou, Rafik; Canals, Benjamin; Lejay, Pascal; Brubach, Jean-Blaise; Creff, Gael; Willaert, Fabrice; Roy, Pascale; Cano, Andres

    2013-03-01

    The langasite Ba3NbFe3Si2O14 displays a chiral structure and orders magnetically with a Neel temperature TN=27K. We have determined its terahertz (THz) spectrum by means of synchrotron-radiation measurements. Three different types of excitation are present. The first one, at 13cm-1, disappears at TN and is assigned to magnons. The others, at 23cm-1 and 29cm-1, persist up to four times TN. According to their selection rules, they are interpreted as rotational modes of the lattice whose magneto-electric activity reveals a structural transition into a polar helical state. also at ILL

  13. Modernization of the Control Systems of High-Frequency, Brush-Free, and Collector Exciters of Turbogenerators

    Energy Technology Data Exchange (ETDEWEB)

    Popov, E. N., E-mail: enpo@ruselmash.ru; Komkov, A. L.; Ivanov, S. L.; Timoshchenko, K. P. [JSC “Scientific and Industrial Enterprise “Rusélprom-Élektromash” (Russian Federation)

    2016-11-15

    Methods of modernizing the regulation systems of electric machinery exciters with high-frequency, brush-free, and collector exciters by means of microprocessor technology are examined. The main problems of modernization are to increase the response speed of a system and to use a system stabilizer to increase the stability of the power system.

  14. Ion-pair dissociation of highly excited carbon clusters: Size and charge effects

    OpenAIRE

    Launoy, Thibaut; Béroff, Karine; Chabot, Marin; Martinet, Guillaume; Le Padellec, A.; Pino, Thomas; Bouneau, S.; Vaeck, Nathalie; Liévin, Jacques; Féraud, Géraldine G.; Loreau, Jérôme; Mahajan, Thejus T. M

    2017-01-01

    We present measurements of ion-pair dissociation (IPD) of highly excited neutral and ionized carbon clusters Cn=2-5(q=0-3)+. The tool for producing these species was a high-velocity collision between Cn+ projectiles (v=2.25 a.u.) and helium atoms. The setup allowed us to detect in coincidence anionic and cationic fragments, event by event, leading to a direct and unambiguous identification of the IPD process. Compared with dissociation without anion emission, we found typical 10-4 IPD rates, ...

  15. Fluorescence spectra of Rhodamine 6G for high fluence excitation laser radiation

    CERN Document Server

    Hung, J; Olaizola, A M

    2003-01-01

    Fluorescence spectral changes of Rhodamine 6G in ethanol and glycerol solutions and deposited as a film on a silica surface have been studied using a wide range of pumping field fluence at 532 nm at room temperature. Blue shift of the fluorescence spectra and fluorescence quenching of the dye molecule in solution are observed at high excitation fluence values. Such effects are not reported for the film sample. The effects are interpreted as the result of population redistribution in the solute-solvent molecular system induced by the high fluence field and the fluence dependence of the radiationless decay mechanism.

  16. Electromagnetic Wave Excitation, Propagation, and Absorption in High Current Storage Rings

    Science.gov (United States)

    Novokhatski, A.; Seeman, J.; Sullivan, M.; Wienands, U.

    2016-04-01

    We analyze a variety of electromagnetic effects in storage rings with extremely high currents. Specifically, we discuss our experience in the operation of the PEP-II (SLAC B-factory). We present some outstanding and sometimes unpredictable effects of the behavior of electromagnetic waves excited by intense beams inside a vacuum chamber in storage rings. Although the impedance of the rings is usually designed to be small, intense high-current beams can still generate significant microwave power. This power can be enough to damage vacuum beam chamber elements, which may absorb electromagnetic waves. The most sensitive elements are RF seals, vacuum valves, shielded bellows, beam position monitor buttons, and ceramic tiles. Additionally, microwave heating leads to vacuum pressure spikes or even vacuum pressure instabilities that brings high detector background. Resonance excitation of the electromagnetic field may lead to a very high electric component amplitude that can cause breakdowns leading to sparks and discharges. Finally, high-power electromagnetic waves can be responsible for beam instabilities in the ring. Proper absorption of these generated waves may eliminate these effects. We feel our experience will be helpful in the design of new high current synchrotron light sources and storage rings.

  17. Effects of a Single Session of High Intensity Interval Treadmill Training on Corticomotor Excitability following Stroke: Implications for Therapy

    Directory of Open Access Journals (Sweden)

    Sangeetha Madhavan

    2016-01-01

    Full Text Available Objective. High intensity interval treadmill training (HIITT has been gaining popularity for gait rehabilitation after stroke. In this study, we examined the changes in excitability of the lower limb motor cortical representation (M1 in chronic stroke survivors following a single session of HIITT. We also determined whether exercise-induced changes in excitability could be modulated by transcranial direct current stimulation (tDCS enhanced with a paretic ankle skill acquisition task. Methods. Eleven individuals with chronic stroke participated in two 40-minute treadmill-training sessions: HIITT alone and HITT preceded by anodal tDCS enhanced with a skill acquisition task (e-tDCS+HIITT. Transcranial magnetic stimulation (TMS was used to assess corticomotor excitability of paretic and nonparetic tibialis anterior (TA muscles. Results. HIIT alone reduced paretic TA M1 excitability in 7 of 11 participants by ≥ 10%. e-tDCS+HIITT increased paretic TA M1 excitability and decreased nonparetic TA M1 excitability. Conclusions. HIITT suppresses corticomotor excitability in some people with chronic stroke. When HIITT is preceded by tDCS in combination with a skill acquisition task, the asymmetry of between-hemisphere corticomotor excitability is reduced. Significance. This study provides preliminary data indicating that the cardiovascular benefits of HIITT may be achieved without suppressing motor excitability in some stroke survivors.

  18. Visible-light-excited and europium-emissive nanoparticles for highly-luminescent bioimaging in vivo.

    Science.gov (United States)

    Wu, Yongquan; Shi, Mei; Zhao, Lingzhi; Feng, Wei; Li, Fuyou; Huang, Chunhui

    2014-07-01

    Europium(III)-based material showing special milliseconds photoluminescence lifetime has been considered as an ideal time-gated luminescence probe for bioimaging, but is still limited in application in luminescent small-animal bioimaging in vivo. Here, a water-soluble, stable, highly-luminescent nanosystem, Ir-Eu-MSN (MSN = mesoporous silica nanoparticles, Ir-Eu = [Ir(dfppy)2(pic-OH)]3Eu·2H2O, dfppy = 2-(2,4-difluorophenyl)pyridine, pic-OH = 3-hydroxy-2-carboxypyridine), was developed by an in situ coordination reaction to form an insoluble dinuclear iridium(III) complex-sensitized-europium(III) emissive complex within mesoporous silica nanoparticles (MSNs) which had high loading efficiency. Compared with the usual approach of physical adsorption, this in-situ reaction strategy provided 20-fold the loading efficiency (43.2%) of the insoluble Ir-Eu complex in MSNs. These nanoparticles in solid state showed bright red luminescence with high quantum yield of 55.2%, and the excitation window extended up to 470 nm. These Ir-Eu-MSN nanoparticles were used for luminescence imaging in living cells under excitation at 458 nm with confocal microscopy, which was confirmed by flow cytometry. Furthermore, the Ir-Eu-MSN nanoparticles were successfully applied into high-contrast luminescent lymphatic imaging in vivo under low power density excitation of 5 mW cm(-2). This synthetic method provides a universal strategy of combining hydrophobic complexes with hydrophilic MSNs for in vivo bioimaging. Copyright © 2014 Elsevier Ltd. All rights reserved.

  19. Computational assessment of several hydrogen-free high energy compounds.

    Science.gov (United States)

    Tan, Bisheng; Huang, Ming; Long, Xinping; Li, Jinshan; Fan, Guijuan

    2016-01-01

    Tetrazino-tetrazine-tetraoxide (TTTO) is an attractive high energy compound, but unfortunately, it is not yet experimentally synthesized so far. Isomerization of TTTO leads to its five isomers, bond-separation energies were empolyed to compare the global stability of six compounds, it is found that isomer 1 has the highest bond-separation energy (1204.6kJ/mol), compared with TTTO (1151.2kJ/mol); thermodynamic properties of six compounds were theoretically calculated, including standard formation enthalpies (solid and gaseous), standard fusion enthalpies, standard vaporation enthalpies, standard sublimation enthalpies, lattice energies and normal melting points, normal boiling points; their detonation performances were also computed, including detonation heat (Q, cal/g), detonation velocity (D, km/s), detonation pressure (P, GPa) and impact sensitivity (h50, cm), compared with TTTO (Q=1311.01J/g, D=9.228km/s, P=40.556GPa, h50=12.7cm), isomer 5 exhibites better detonation performances (Q=1523.74J/g, D=9.389km/s, P=41.329GPa, h50= 28.4cm). Copyright © 2015 Elsevier Inc. All rights reserved.

  20. Photonics of a conjugated organometallic Pt-Ir polymer and its model compounds exhibiting hybrid CT excited states.

    Science.gov (United States)

    Soliman, Ahmed M; Fortin, Daniel; Zysman-Colman, Eli; Harvey, Pierre D

    2012-04-13

    Trans- dichlorobis(tri-n-butylphosphine)platinum(II) reacts with bis(2- phenylpyridinato)-(5,5'-diethynyl-2,2'-bipyridine)iridium(III) hexafluorophosphate to form the luminescent conjugated polymer poly[trans-[(5,5'-ethynyl-2,2'-bipyridine)bis(2- phenylpyridinato)-iridium(III)]bis(tri-n-butylphosphine)platinum(II)] hexafluorophosphate ([Pt]-[Ir])n. Gel permeation chromatography indicates a degree of polymerization of 9 inferring the presence of an oligomer. Comparison of the absorption and emission band positions and their temperature dependence, emission quantum yields, and lifetimes with those for models containing only the [Pt] or the [Ir] units indicates hybrid excited states including features from both chromophores. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Production of N-13 labeled compounds with high specific activity

    Energy Technology Data Exchange (ETDEWEB)

    Suzuki, Kazutoshi; Sasaki, Motoji; Yoshida, Yuichiro; Haradahira, Terushi; Inoue, Osamu [National Inst. of Radiological Sciences, Chiba (Japan)

    1997-03-01

    Nitrogen-13 was produced by irradiating ultra pure water saturated with a pure gas (N2, O2, He, H2) with 18 MeV protons. Ion species generated by irradiation were analyzed with radio ion chromatography systems. An automated equipment was developed to synthesize anhydrous (13N)NH3 as a synthetic precursor and (13N)p-nitrophenyl carbamate ((13N)NPC) as a model compound, using the (13N)NH3. The radiochemical yield and specific activity of (13N)NPC was high enough to carry out the receptor study with PET. (author)

  2. High-pressure effects on intramolecular electron transfer compounds

    CERN Document Server

    He Li Ming; Li Hong; Zhang Bao Wen; Li Yi; Yang Guo Qiang

    2002-01-01

    We explore the effect of pressure on the fluorescence spectra of the intramolecular electron transfer compound N-(1-pyrenylmethyl), N-methyl-4-methoxyaniline (Py-Am) and its model version, with poly(methyl methacrylate) blended in, at high pressure up to 7 GPa. The emission properties of Py-Am and pyrene show distinct difference with the increase of pressure. This difference indicates the strength of the charge transfer interaction resulting from the adjusting of the conformation of Py-Am with increase of pressure. The relationship between the electronic state of the molecule and pressure is discussed.

  3. High pressure extraction of phenolic compounds from citrus peels†

    Science.gov (United States)

    Casquete, R.; Castro, S. M.; Villalobos, M. C.; Serradilla, M. J.; Queirós, R. P.; Saraiva, J. A.; Córdoba, M. G.; Teixeira, P.

    2014-10-01

    This study evaluated the effect of high pressure processing on the recovery of high added value compounds from citrus peels. Overall, the total phenolic content in orange peel was significantly (P < .05) higher than that in lemon peel, except when pressure treated at 500 MPa. However, lemon peel demonstrated more antioxidant activity than orange peel. Pressure-treated samples (300 MPa, 10 min; 500 MPa, 3 min) demonstrated higher phenolic content and antioxidant activity comparatively to the control samples. For more severe treatments (500 MPa, 10 min), the phenolic content and antioxidant activity decreased in both lemon and orange peels. This paper was presented at the 8th International Conference on High Pressure Bioscience & Biotechnology (HPBB 2014), in Nantes (France), 15-18 July 2014.

  4. Theories and experiments on the stiffening effect of high-frequency excitation for continuous elastic systems

    DEFF Research Database (Denmark)

    Thomsen, Jon Juel

    2003-01-01

    , as was done in a few related studies¿¿unless the system has very low modal density or heavy damping; thus first-order consideration to resonance effects is included. Using the specific example with experimental support to put confidence on the proposed theory, expressions for predicting the stiffening effect...... for a more general class of continuous systems in differential operator form are also provided.......One effect of strong mechanical high-frequency excitation may be to apparently "stiffen" a structure, a well-described phenomenon for discrete systems. The present study provides theoretical and experimental results on this effect for continuous elastic structures. A laboratory experiment is set up...

  5. Computational Design of Novel Compounds and Room-temperature Superconductors at High Pressure Conditions

    Science.gov (United States)

    Ma, Yanming

    Pressure, which is a fundamental thermodynamic control on materials' properties, reduces inter-atomic distances and profoundly modifies electronic orbitals and bonding patterns. High pressure has been a versatile tool for creating exotic materials that are not accessible at ambient conditions. Recently, crystal structure prediction has played a leading role in major high-pressure discoveries. Among various structure prediction methods, CALYPSO method (http://www.calypso.cn) is developed on top of swarm-intelligence algorithms by taking the advantage of swarm structures smart learning. Application of CALYPSO into prediction of high-pressure structures has generated a number of exciting discoveries. Examples point to the predicted chemical reactions of Fe/Ni-Xe and Au-Li at high pressures with the formation of unusual compounds Fe3/Ni3Xe and AuLi4/Li5, respectively. Motivated by our theory, the Fe3/Ni3Xe compounds were recently experimentally synthesized, providing a possible solution on ``missing Xe paradox'' towards to Xe storage inside Earth core. Here, Au loses its chemical identity, and acts as a 6p element by achieving high negative oxidation state (>=-2). Our prediction of high-Tc superconductivity on highly compressed H2S initiated the recent experimental observation of record high 200 K superconductivity in H3S. Perspective towards to the design of room-T superconductors in compressed H-rich materials will be presented, including design of high Tc (>100 K) superconductor of TeH4, the highest H-content superconductor in chalcogen hydrides.

  6. Effect of collective response on electron capture and excitation in collisions of highly charged ions with fullerenes.

    Science.gov (United States)

    Kadhane, U; Misra, D; Singh, Y P; Tribedi, Lokesh C

    2003-03-07

    Projectile deexcitation Lyman x-ray emission following electron capture and K excitation has been studied in collisions of bare and Li-like sulphur ions (of energy 110 MeV) with fullerenes (C(60)/C(70)) and different gaseous targets. The intensity ratios of different Lyman x-ray lines in collisions with fullerenes are found to be substantially lower than those for the gas targets, both for capture and excitation. This has been explained in terms of a model based on "solidlike" effect, namely, wakefield induced stark mixing of the excited states populated via electron capture or K excitation: a collective phenomenon of plasmon excitation in the fullerenes under the influence of heavy, highly charged ions.

  7. Orbital response to backward (e,e{sup `}) scattering at low and high excitation energies

    Energy Technology Data Exchange (ETDEWEB)

    Nojarov, R. [Tuebingen Univ. (Germany). Inst. fuer Theoretische Physik; Faessler, A. [Tuebingen Univ. (Germany). Inst. fuer Theoretische Physik; Dingfelder, M. [Tuebingen Univ. (Germany). Inst. fuer Theoretische Physik

    1996-04-15

    The response of orbital excitations with K{sup {pi}}=1{sup +} in heavy deformed nuclei to backward (e,e`) scattering is studied in RPA on the example of {sup 154}Sm. The summed M1 and E2 cross sections are of comparable magnitude over wide ranges of transferred momenta: 0.9excitation energies E{sub x}< 9 MeV and 0.6high-energy region 17high-energy region. The transition densities of the single strongest RPA states from the two energy regions are similar to that of the scissors state, apart from their smaller amplitudes. The spin M1 responses are similar at low and high energy and dominant for high q. The orbital M1 response is dominant up to high q-values at low energy and only for small q at high energy. The electric response of the low RPA state (mainly C2) is suppressed at a full backward angle, while it persists at high energy for {theta}{>=}165 {sup circle} due to its dominant transverse E2 component. The E2 strength below 9 MeV and between 13 and 17 MeV belongs neither to the isoscalar nor to the isovector giant resonances. (orig.).

  8. High spectral specificity of local chemical components characterization with multichannel shift-excitation Raman spectroscopy

    Science.gov (United States)

    Chen, Kun; Wu, Tao; Wei, Haoyun; Wu, Xuejian; Li, Yan

    2015-09-01

    Raman spectroscopy has emerged as a promising tool for its noninvasive and nondestructive characterization of local chemical structures. However, spectrally overlapping components prevent the specific identification of hyperfine molecular information of different substances, because of limitations in the spectral resolving power. The challenge is to find a way of preserving scattered photons and retrieving hidden/buried Raman signatures to take full advantage of its chemical specificity. Here, we demonstrate a multichannel acquisition framework based on shift-excitation and slit-modulation, followed by mathematical post-processing, which enables a significant improvement in the spectral specificity of Raman characterization. The present technique, termed shift-excitation blind super-resolution Raman spectroscopy (SEBSR), uses multiple degraded spectra to beat the dispersion-loss trade-off and facilitate high-resolution applications. It overcomes a fundamental problem that has previously plagued high-resolution Raman spectroscopy: fine spectral resolution requires large dispersion, which is accompanied by extreme optical loss. Applicability is demonstrated by the perfect recovery of fine structure of the C-Cl bending mode as well as the clear discrimination of different polymorphs of mannitol. Due to its enhanced discrimination capability, this method offers a feasible route at encouraging a broader range of applications in analytical chemistry, materials and biomedicine.

  9. Electron Impact Excitation and Dielectronic Recombination of Highly Charged Tungsten Ions

    Directory of Open Access Journals (Sweden)

    Zhongwen Wu

    2015-11-01

    Full Text Available Electron impact excitation (EIE and dielectronic recombination (DR of tungsten ions are basic atomic processes in nuclear fusion plasmas of the International Thermonuclear Experimental Reactor (ITER tokamak. Detailed investigation of such processes is essential for modeling and diagnosing future fusion experiments performed on the ITER. In the present work, we studied total and partial electron-impact excitation (EIE and DR cross-sections of highly charged tungsten ions by using the multiconfiguration Dirac–Fock method. The degrees of linear polarization of the subsequent X-ray emissions from unequally-populated magnetic sub-levels of these ions were estimated. It is found that the degrees of linear polarization of the same transition lines, but populated respectively by the EIE and DR processes, are very different, which makes diagnosis of the formation mechanism of X-ray emissions possible. In addition, with the help of the flexible atomic code on the basis of the relativistic configuration interaction method, DR rate coefficients of highly charged W37+ to W46+ ions are also studied, because of the importance in the ionization equilibrium of tungsten plasmas under running conditions of the ITER.

  10. A model for energy transfer in collisions of atoms with highly excited molecules.

    Science.gov (United States)

    Houston, Paul L; Conte, Riccardo; Bowman, Joel M

    2015-05-21

    A model for energy transfer in the collision between an atom and a highly excited target molecule has been developed on the basis of classical mechanics and turning point analysis. The predictions of the model have been tested against the results of trajectory calculations for collisions of five different target molecules with argon or helium under a variety of temperatures, collision energies, and initial rotational levels. The model predicts selected moments of the joint probability distribution, P(Jf,ΔE) with an R(2) ≈ 0.90. The calculation is efficient, in most cases taking less than one CPU-hour. The model provides several insights into the energy transfer process. The joint probability distribution is strongly dependent on rotational energy transfer and conservation laws and less dependent on vibrational energy transfer. There are two mechanisms for rotational excitation, one due to motion normal to the intermolecular potential and one due to motion tangential to it and perpendicular to the line of centers. Energy transfer is found to depend strongly on the intermolecular potential and only weakly on the intramolecular potential. Highly efficient collisions are a natural consequence of the energy transfer and arise due to collisions at "sweet spots" in the space of impact parameter and molecular orientation.

  11. A compilation of information on the {sup 31}P(p,{alpha}){sup 28}Si reaction and properties of excited levels in the compound nucleus {sup 32}S

    Energy Technology Data Exchange (ETDEWEB)

    Miller, R.E.; Smith, D.L. [Argonne National Lab., IL (United States). Technology Development Div.

    1997-11-01

    This report documents a survey of the literature, and provides a compilation of data contained therein, for the {sup 31}P(p,{alpha}){sup 28}Si reaction. Attention is paid here to resonance states in the compound-nuclear system {sup 32}S formed by {sup 31}P + p, with emphasis on the alpha-particle decay channels, {sup 28}Si + {alpha} which populate specific levels in {sup 28}Si. The energy region near the proton separation energy for {sup 32}S is especially important in this context for applications in nuclear astrophysics. Properties of the excited states in {sup 28}Si are also considered. Summaries of all the located references are provided and numerical data contained in them are compiled in EXFOR format where applicable.

  12. Pressure-induced emergence of unusually high-frequency transverse excitations in a liquid alkali metal: Evidence of two types of collective excitations contributing to the transverse dynamics at high pressures

    Energy Technology Data Exchange (ETDEWEB)

    Bryk, Taras [Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii Street, UA-79011 Lviv (Ukraine); Lviv Polytechnic National University, 12 S. Bandera Street, UA-79013 Lviv (Ukraine); Ruocco, G. [Dipartimento di Fisica, Universita di Roma La Sapienza, 5 Piazzale Aldo Moro, I-00185 Roma (Italy); Center for Life Nano Science @Sapienza, Istituto Italiano di Tecnologia, 295 Viale Regina Elena, I-00161 Roma (Italy); Scopigno, T. [Dipartimento di Fisica, Universita di Roma La Sapienza, 5 Piazzale Aldo Moro, I-00185 Roma (Italy); IPCF-CNR, c/o Universita di Roma La Sapienza, 5 Piazzale Aldo Moro, I-00185 Roma (Italy); Seitsonen, Ari P. [Département de Chimie, Université de Zurich, Winterthurerstrasse 190, CH-8057 Zürich (Switzerland); Département de Chimie, École Normale Supérieure, 24 rue Lhomond, F-75005 Paris (France)

    2015-09-14

    Unlike phonons in crystals, the collective excitations in liquids cannot be treated as propagation of harmonic displacements of atoms around stable local energy minima. The viscoelasticity of liquids, reflected in transition from the adiabatic to elastic high-frequency speed of sound and in absence of the long-wavelength transverse excitations, results in dispersions of longitudinal (L) and transverse (T) collective excitations essentially different from the typical phonon ones. Practically, nothing is known about the effect of high pressure on the dispersion of collective excitations in liquids, which causes strong changes in liquid structure. Here dispersions of L and T collective excitations in liquid Li in the range of pressures up to 186 GPa were studied by ab initio simulations. Two methodologies for dispersion calculations were used: direct estimation from the peak positions of the L/T current spectral functions and simulation-based calculations of wavenumber-dependent collective eigenmodes. It is found that at ambient pressure, the longitudinal and transverse dynamics are well separated, while at high pressures, the transverse current spectral functions, density of vibrational states, and dispersions of collective excitations yield evidence of two types of propagating modes that contribute strongly to transverse dynamics. Emergence of the unusually high-frequency transverse modes gives evidence of the breakdown of a regular viscoelastic theory of transverse dynamics, which is based on coupling of a single transverse propagating mode with shear relaxation. The explanation of the observed high-frequency shift above the viscoelastic value is given by the presence of another branch of collective excitations. With the pressure increasing, coupling between the two types of collective excitations is rationalized within a proposed extended viscoelastic model of transverse dynamics.

  13. Design and selection of triazole-based compounds with high ...

    Indian Academy of Sciences (India)

    linked energetic polynitropyrazoles, which showed that these compounds have potential applications as energetic compounds. Zhu et al.,15 designed three novel explosives by introducing the N- oxides into the 1,2,4-triazole, which were more pow ...

  14. Formation of highly oxygenated organic molecules from aromatic compounds

    Directory of Open Access Journals (Sweden)

    U. Molteni

    2018-02-01

    Full Text Available Anthropogenic volatile organic compounds (AVOCs often dominate the urban atmosphere and consist to a large degree of aromatic hydrocarbons (ArHCs, such as benzene, toluene, xylenes, and trimethylbenzenes, e.g., from the handling and combustion of fuels. These compounds are important precursors for the formation of secondary organic aerosol. Here we show that the oxidation of aromatics with OH leads to a subsequent autoxidation chain reaction forming highly oxygenated molecules (HOMs with an O : C ratio of up to 1.09. This is exemplified for five single-ring ArHCs (benzene, toluene, o-/m-/p-xylene, mesitylene (1,3,5-trimethylbenzene and ethylbenzene, as well as two conjugated polycyclic ArHCs (naphthalene and biphenyl. We report the elemental composition of the HOMs and show the differences in the oxidation patterns of these ArHCs. A potential pathway for the formation of these HOMs from aromatics is presented and discussed. We hypothesize that AVOCs may contribute substantially to new particle formation events that have been detected in urban areas.

  15. Synthesis and stability of hydrogen selenide compounds at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Pace, Edward J.; Binns, Jack; Alvarez, Miriam Pena; Dalladay-Simpson, Philip; Gregoryanz, Eugene; Howie, Ross T. (Edinburgh); (CHPSTAR- China)

    2017-11-14

    The observation of high-temperature superconductivity in hydride sulfide (H2S) at high pressures has generated considerable interest in compressed hydrogen-rich compounds. High-pressure hydrogen selenide (H2Se) has also been predicted to be superconducting at high temperatures; however, its behaviour and stability upon compression remains unknown. In this study, we synthesize H2Se in situ from elemental Se and molecular H2 at pressures of 0.4 GPa and temperatures of 473 K. On compression at 300 K, we observe the high-pressure solid phase sequence (I-I'-IV) of H2Se through Raman spectroscopy and x-ray diffraction measurements, before dissociation into its constituent elements. Through the compression of H2Se in H2 media, we also observe the formation of a host-guest structure, (H2Se)2H2, which is stable at the same conditions as H2Se, with respect to decomposition. These measurements show that the behaviour of H2Se is remarkably similar to that of H2S and provides further understanding of the hydrogen chalcogenides under pressure.

  16. Numerical Investigation on Wheel-Rail Dynamic Vibration Excited by Rail Spalling in High-Speed Railway

    Directory of Open Access Journals (Sweden)

    Kaiyun Wang

    2016-01-01

    Full Text Available Spalling in contact surface of rail is a typical form of rolling contact fatigue, which is a difficult problem to solve in railway. Once the spalling occurs in the rail, the wheel-rail dynamic interaction will become more severe. The wheel-rail dynamic interaction is investigated based on the theory of vehicle-track coupled dynamics in this paper, where the excitation modes of the rail spalling failure are taken into consideration for high-speed wheel-rail system. A modified excitation model of rail spalling failure is proposed. It can enable the investigations on two kinds of excitation modes in wheel-rail system due to the rail spalling, including the pulse and the harmonic excitation modes. The excitation mode can be determined by the ratio of the spalling length to its critical length. Thus, the characteristics of wheel-rail dynamic vibration excited by two kinds of excitation are simulated in detail. Consequently, the limited value of the spalling length is suggested for high-speed railway.

  17. High Excitation Transfer Efficiency from Energy Relay Dyes in Dye-Sensitized Solar Cells

    KAUST Repository

    Hardin, Brian E.

    2010-08-11

    The energy relay dye, 4-(Dicyanomethylene)-2-methyl-6-(4- dimethylaminostyryl)-4H-pyran (DCM), was used with a near-infrared sensitizing dye, TT1, to increase the overall power conversion efficiency of a dye-sensitized solar cell (DSC) from 3.5% to 4.5%. The unattached DCM dyes exhibit an average excitation transfer efficiency (EÌ?TE) of 96% inside TT1-covered, mesostructured TiO2 films. Further performance increases were limited by the solubility of DCM in an acetonitrile based electrolyte. This demonstration shows that energy relay dyes can be efficiently implemented in optimized dye-sensitized solar cells, but also highlights the need to design highly soluble energy relay dyes with high molar extinction coefficients. © 2010 American Chemical Society.

  18. Excited baryon form-factors at high momentum transfer at CEBAF at higher energies

    Energy Technology Data Exchange (ETDEWEB)

    Stoler, P. [Rensselaer Polytechnic Inst., Troy, NY (United States)

    1994-04-01

    The possibilities of measuring the properties of excited nucleons at high Q{sup 2} by means of exclusive single meson production at CEBAF with an electron energy of 8 GeV is considered. The motivation is to access short range phenomena in baryon structure, and to investigate the transition from the low Q{sup 2} non-perturbative QCD regime, where constituent quark models are valid, to higher Q{sup 2} where it is believed perturbative QCD plays an increasingly important role. It is found that high quality baryon decay angular distributions can be obtained for the most prominent states up to Q{sup 2} {approximately} 12 GeV{sup 2}/c{sup 2} using a set of moderate resolution, large solid angle magnetic spectrometers.

  19. Microscopic unitary description of tidal excitations in high-energy string-brane collisions

    CERN Document Server

    D'Appollonio, Giuseppe; Russo, Rodolfo; Veneziano, Gabriele

    2013-01-01

    The eikonal operator was originally introduced to describe the effect of tidal excitations on higher-genus elastic string amplitudes at high energy. In this paper we provide a precise interpretation for this operator through the explicit tree-level calculation of generic inelastic transitions between closed strings as they scatter off a stack of parallel Dp-branes. We perform this analysis both in the light-cone gauge, using the Green-Schwarz vertex, and in the covariant formalism, using the Reggeon vertex operator. We also present a detailed discussion of the high energy behaviour of the covariant string amplitudes, showing how to take into account the energy factors that enhance the contribution of the longitudinally polarized massive states in a simple way.

  20. Dynamic failure of high energy materials under compression and periodic excitation

    Science.gov (United States)

    Koslowski, Marisol; Grilli, Nicolo; Tanasoiu, Bogdan; Duarte Cordon, Camilo

    2017-06-01

    Polymer bonded explosives consist of high energetic particles in a polymeric binder. When these composites are subjected to heat, impact, friction, shock, or other initiation stimulus, they undergo a rapid chemical change. The sensitivity to initiation depends not only on the amount of energy available in the system but also on the rate at which available energy is released. Therefore, it is of extreme importance to predict the dissipated energy and its rate due to mechanical insults from accurate predictions of the deformation fields including localization, fracture and plasticity. The focus of this work is to study energy dissipation due to fracture and plasticity in high energy particles embeded in a polymer binder using finite elements. Numerical simulations of crack propagation under compressive load and dynamic excitation are performed with a phase field damage model. A systematic study of the energy release rate and initial microstructure is performed to analyze their repercussion on the dissipated energy and initiation. MURI-ONR.

  1. Impact-Based Electromagnetic Energy Harvester with High Output Voltage under Low-Level Excitations

    Directory of Open Access Journals (Sweden)

    Qian Luo

    2017-11-01

    Full Text Available To expand the applications of vibrational energy harvesters (VEHs as power sources of wireless sensor nodes, it is of significance to improve the scavenging efficiency for the broadband, low-frequency, and low-level vibrational energy. The output voltages of electromagnetic vibrational energy harvesters (EMVEHs are usually low, which complicates the power management circuit by an indispensable voltage boosting element. To this end, an impact-based non-resonant EMVEH mainly composed of an outer frame and an inner frame on rollers is proposed. Numerical simulations based on a mathematical model of the harvester are conducted to analyze the effects of structural parameters on the output performance. Under base excitation of 0.1 and 0.3 (where g is the gravitational acceleration, 1 g = 9.8 m · s − 2 , the experimental maximum root mean square voltages of a harvester prototype across a resistor of 11 kΩ are as high as 7.6 and 16.5 V at 6.0 and 8.5 Hz, respectively, with the maximum output powers of 5.3 and 24.8 mW, or the power densities of 54.6 and 256 μW cm−3. By using a management circuit without a voltage boosting element, a wireless sensor node driven by the prototype can measure and transmit the temperature and humidity every 20 s under base excitation of 0.1 g at 5.4 Hz.

  2. Role of very-high-frequency excitation in single-bubble sonoluminescence

    Energy Technology Data Exchange (ETDEWEB)

    Moraga, Francisco J. [Oak Ridge Associated Universities, Oak Ridge, Tennessee 37831 (United States); Taleyarkhan, Rusi P. [Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Lahey, Richard T. Jr. [Rensselaer Polytechnic Institute, Troy, New York 12180 (United States); Bonetto, Fabian J. [Instituto Balseiro/CNEA-CAB. Bariloche, (Argentina)

    2000-08-01

    The fundamental and tenth harmonics were used to produce stable single-bubble sonoluminescence in water. By varying the phase difference between the harmonics, it was possible to enhance the sonoluminescence light emission by as much as a factor of 2.7 compared with single-frequency excitation. Absolute measurements of the bubble radius evolution were carried out using the two-detector technique. Unlike previous observations, these measurements and complementary fits of the Rayleigh-Plesset equation reveal that the maximum bubble radius does not change significantly with phase angle between the harmonics. Therefore, increased sonoluminescence intensity does not have to correlate with increases in maximum bubble radius prior to collapse. We believe that a more violent bubble collapse rate (driven by the very-high-frequency component) is responsible for the enhanced light emission under this type of mixed excitation. It was further found that the presence of the tenth-harmonic frequency component led to significant enhancements in the stability of the bubble undergoing sonoluminescence. This allowed the bubble to be driven at the fundamental frequency at 2.0 bars pressure amplitudes, which are significantly above often-reported thresholds of 1.4 bar itself, thereby leading to increased levels of light emission (by more than 250%). (c) 2000 The American Physical Society.

  3. Equation-of-motion coupled cluster method for the description of the high spin excited states

    Energy Technology Data Exchange (ETDEWEB)

    Musiał, Monika, E-mail: musial@ich.us.edu.pl; Lupa, Łukasz; Kucharski, Stanisław A. [Institute of Chemistry, University of Silesia, Szkolna 9, 40-006 Katowice (Poland)

    2016-04-21

    The equation-of-motion (EOM) coupled cluster (CC) approach in the version applicable for the excitation energy (EE) calculations has been formulated for high spin components. The EE-EOM-CC scheme based on the restricted Hartree-Fock reference and standard amplitude equations as used in the Davidson diagonalization procedure yields the singlet states. The triplet and higher spin components require separate amplitude equations. In the case of quintets, the relevant equations are much simpler and easier to solve. Out of 26 diagrammatic terms contributing to the R{sub 1} and R{sub 2} singlet equations in the case of quintets, only R{sub 2} operator survives with 5 diagrammatic terms present. In addition all terms engaging three body elements of the similarity transformed Hamiltonian disappear. This indicates a substantial simplification of the theory. The implemented method has been applied to the pilot study of the excited states of the C{sub 2} molecule and quintet states of C and Si atoms.

  4. Evolution of spin excitations in a gapped antiferromagnet from the quantum to the high-temperature limit

    DEFF Research Database (Denmark)

    Kenzelmann, M.; Cowley, R.A.; Buyers, W.J.L.

    2002-01-01

    We have mapped from the quantum to the classical limit the spin excitation spectrum of the antiferromagnetic spin-1 Heisenberg chain system CsNiCl3 in its paramagnetic phase from T=5 to 200 K. Neutron scattering shows that the excitations are resonant and dispersive up to at least T=70 Ksimilar o...... and the experiment is not consistent with the random phase approximation for coupled quantum chains. At T=200 K, the structure factor and second energy moment of the excitation spectrum are in excellent agreement with the high-temperature series expansion.......We have mapped from the quantum to the classical limit the spin excitation spectrum of the antiferromagnetic spin-1 Heisenberg chain system CsNiCl3 in its paramagnetic phase from T=5 to 200 K. Neutron scattering shows that the excitations are resonant and dispersive up to at least T=70 Ksimilar...... is in agreement with quantum Monte Carlo calculations for the spin-1 chain. xi is also consistent with the single mode approximation, suggesting that the excitations are short-lived single particle excitations. Below T=12 K where three-dimensional spin correlations are important, xi is shorter than predicted...

  5. BBO sapphire compound for high-power frequency conversion

    Science.gov (United States)

    Rothhardt, Carolin; Rothhardt, Jan; Klenke, Arno; Peschel, Thomas; Eberhardt, Ramona; Limpert, Jens; Tünnermann, Andreas

    2015-02-01

    Lasers used for diverse applications from industry to fundamental science tend to increasing output powers. Some applications require frequency conversion via nonlinear optical crystals, which suffer from the formation of temperature gradients at high power operation which causes thermal lensing or destruction of the crystal due to tensile stresses. To avoid these unwanted effects we joined a beta barium borate (BBO) crystal with sapphire disks serving as effective heat spreaders due to their high thermal conductivity (thermal conductivity κ = 42 W/Km). Therefore, smooth and flat crystal surfaces were joined by plasma-activated bonding. The joining relies on covalent bonds, which are formed via a condensation reaction of the surfaces which are first connected by Van der Waals forces. The cleaned surfaces are activated by plasma and brought into contact, pressed together and heat treated at a temperature of about 100°C. Special attention has been paid to the cleaning of the surfaces. Therefor the surfaces have been evaluated before and after treatment by means of atomic force microscopy. A stable connection has been formed successfully, which has been tested in a proof of principle experiment and demonstrated efficient second harmonic generation at up to 253 W of input power. Compared to a bare single BBO crystal it could be shown that the temperature within the crystal compound is significantly reduced. Such hybrid structures pave the way for frequency conversion at kilowatts of average power for future high power lasers.

  6. Highly emitting near-infrared lanthanide "encapsulated sandwich" metallacrown complexes with excitation shifted toward lower energy.

    Science.gov (United States)

    Trivedi, Evan R; Eliseeva, Svetlana V; Jankolovits, Joseph; Olmstead, Marilyn M; Petoud, Stéphane; Pecoraro, Vincent L

    2014-01-29

    Near-infrared (NIR) luminescent lanthanide complexes hold great promise for practical applications, as their optical properties have several complementary advantages over organic fluorophores and semiconductor nanoparticles. The fundamental challenge for lanthanide luminescence is their sensitization through suitable chromophores. The use of the metallacrown (MC) motif is an innovative strategy to arrange several organic sensitizers at a well-controlled distance from a lanthanide cation. Herein we report a series of lanthanide “encapsulated sandwich” MC complexes of the form Ln3+ [12-MC(Zn(II),quinHA)-4]2[24-MC(Zn(II),quinHA)-8] (Ln3+ [Zn(II)MC(quinHA)]) in which the MC framework is formed by the self-assembly of Zn2+ ions and tetradentate chromophoric ligands based on quinaldichydroxamic acid (quinHA). A first-generation of luminescent MCs was presented previously but was limited due to excitation wavelengths in the UV. We report here that through the design of the chromophore of the MC assembly, we have significantly shifted the absorption wavelength toward lower energy (450 nm). In addition to this near-visible inter- and/or intraligand charge transfer absorption, Ln3+ [Zn(II)MC(quinHA)] exhibits remarkably high quantum yields, long luminescence lifetimes (CD3OD; Yb3+, QLn(L) = 2.88(2)%, τobs = 150.7(2) μs; Nd3+, QLn(L) = 1.35(1)%, τobs = 4.11(3) μs; Er3+, QLn(L) = 3.60(6)·10–2%, τobs = 11.40(3) μs), and excellent photostability. Quantum yields of Nd3+ and Er3+ MCs in the solid state and in deuterated solvents, upon excitation at low energy, are the highest values among NIR-emitting lanthanide complexes containing C–H bonds. The versatility of the MC strategy allows modifications in the excitation wavelength and absorptivity through the appropriate design of the ligand sensitizer, providing a highly efficient platform with tunable properties.

  7. Collisional Quenching of Highly-Excited H2 due to H2 Collisions

    Science.gov (United States)

    Wan, Yier; Yang, Benhui H.; Stancil, Phillip C.; Naduvalath, Balakrishnan; Forrey, Robert C.; This work was partially support by Hubble grant HST-AT-13899. We thank Kyle Walkerassistance with vrrmm.

    2017-06-01

    Collision-induced energy transfer involving H2 molecules are of significant interest, since H2 is the most abundant molecular species in the universe. Collisional de-excitation rate coefficients of the H2-H2 system are necessary to produce accurate models of astrophysical environments. However, accurate calculations of collisional energy transfer are still a challenging problem, especially for highly-excited H2 because a large number of levels must be included in the calculation.Currently, most data are limited to initial rotational levels j up to 8 or initial vibrational levels up to 3. The vast majority of these results involve some form of a reduced-dimensional approach which may be of questionable accuracy. A reliable and accurate four-dimensional PES computed by Patkowski et al. is used in this work along with two quantum scattering programs (MOLSCAT and vrrmm). Another accurate full-dimensional PES has been reported for the H2-H2 system by Hinde.Not all transitions will be explicitly calculated. A zero-energy scaling technique (ZEST) is used to estimate some intermediate transitions from calculated rate coefficients. New inelastic quenching cross section for para-H2+para-H2 collisions with initial level j= 10, 12, 14, 18, 24 are calculated. Calculations for other de-excitation transitions from higher initial levels and collisions involving other spin isomer of hydrogen, ortho-H2+para-H2, ortho-H2+ortho-H2 and para-H2+ortho-H2 are in progress. The coupled- states approximation is also applied to obtain cross sections at high energy.K. Patkowski, et al., J. Chem. Phys. 129, 094304 (2008).J. M. Hutson and S. Green, MOLSCAT Computer code, v14 (1994).K. Walker, 2013, VRRMM: Vibrational/Rotational Rich Man’s MOLSCAT v3.1.K. Walker, Song, L., Yang, B. H.,et al. 2015, ApJ, \\811,27.S. Green, J. Chem. Phys. 62, 2271 (1975).Flower, D. R., Roueff, E. 1998, J. Phys. B, 31, 2935.T. -G. Lee, N. Balakrishnan, R. C. Forrey, P. C. Stancil, G. Shaw, D. R. Schultz, and G. J

  8. Storing single photons emitted by a quantum memory on a highly excited Rydberg state.

    Science.gov (United States)

    Distante, Emanuele; Farrera, Pau; Padrón-Brito, Auxiliadora; Paredes-Barato, David; Heinze, Georg; de Riedmatten, Hugues

    2017-01-19

    Strong interaction between two single photons is a long standing and important goal in quantum photonics. This would enable a new regime of nonlinear optics and unlock several applications in quantum information science, including photonic quantum gates and deterministic Bell-state measurements. In the context of quantum networks, it would be important to achieve interactions between single photons from independent photon pairs storable in quantum memories. So far, most experiments showing nonlinearities at the single-photon level have used weak classical input light. Here we demonstrate the storage and retrieval of a paired single photon emitted by an ensemble quantum memory in a strongly nonlinear medium based on highly excited Rydberg atoms. We show that nonclassical correlations between the two photons persist after retrieval from the Rydberg ensemble. Our result is an important step towards deterministic photon-photon interactions, and may enable deterministic Bell-state measurements with multimode quantum memories.

  9. High-Speed Rotor Analytical Dynamics on Flexible Foundation Subjected to Internal and External Excitation

    Science.gov (United States)

    Jivkov, Venelin S.; Zahariev, Evtim V.

    2016-12-01

    The paper presents a geometrical approach to dynamics simulation of a rigid and flexible system, compiled of high speed rotating machine with eccentricity and considerable inertia and mass. The machine is mounted on a vertical flexible pillar with considerable height. The stiffness and damping of the column, as well as, of the rotor bearings and the shaft are taken into account. Non-stationary vibrations and transitional processes are analyzed. The major frequency and modal mode of the flexible column are used for analytical reduction of its mass, stiffness and damping properties. The rotor and the foundation are modelled as rigid bodies, while the flexibility of the bearings is estimated by experiments and the requirements of the manufacturer. The transition effects as a result of limited power are analyzed by asymptotic methods of averaging. Analytical expressions for the amplitudes and unstable vibrations throughout resonance are derived by quasi-static approach increasing and decreasing of the exciting frequency. Analytical functions give the possibility to analyze the influence of the design parameter of many structure applications as wind power generators, gas turbines, turbo-generators, and etc. A numerical procedure is applied to verify the effectiveness and precision of the simulation process. Nonlinear and transitional effects are analyzed and compared to the analytical results. External excitations, as wave propagation and earthquakes, are discussed. Finite elements in relative and absolute coordinates are applied to model the flexible column and the high speed rotating machine. Generalized Newton - Euler dynamics equations are used to derive the precise dynamics equations. Examples of simulation of the system vibrations and nonstationary behaviour are presented.

  10. Cluster Decay of the High-lying excited states in $^{14}$C

    CERN Document Server

    Tian, Z Y; Li, Z H; Lin, C J; Li, Q T; Ge, Y C; Lou, J L; Jiang, W; Li, J; Yang, Z H; Feng, J; Li, P J; Chen, J; Liu, Q; Zang, H L; Yang, B; Zhang, Y; Chen, Z Q; Liu, Y; Sun, X H; Ma, J; Jia, H M; Xu, X X; Yang, L; Ma, N R; Sun, L J

    2016-01-01

    A cluster-transfer experiment of $^9\\rm{Be}(^9\\rm{Be},^{14}\\rm{C}\\rightarrow\\alpha+^{10}\\rm{Be})\\alpha$ at an incident energy of 45 MeV was carried out in order to investigate the molecular structure in high-lying resonant states in $^{14}$C. This reaction is of extremely large $Q$-value, making it an excellent case to select the reaction mechanism and the final states in outgoing nuclei. The high-lying resonances in $^{14}$C are reconstructed for three sets of well discriminated final states in $^{10}$Be. The results confirm the previous decay measurements with clearly improved decay-channel selections and show also a new state at 23.5(1) MeV. The resonant states at 22.4(3) and 24.0(3) MeV decay primarily into the typical molecular states at about 6 MeV in $^{10}$Be, indicating a well developed cluster structure in these high-lying states in $^{14}$C. Further measurements of more states of this kind are suggested.

  11. High PRF ultrafast sliding compound doppler imaging: fully qualitative and quantitative analysis of blood flow.

    Science.gov (United States)

    Kang, Jinbum; Jang, Won Seuk; Yoo, Yangmo

    2018-01-15

    Ultrafast compound Doppler imaging based on plane-wave excitation (UCDI) can be used to evaluate cardiovascular diseases using high frame rates. In particular, it provides a fully quantifiable flow analysis over a large region of interest with high spatio-temporal resolution. However, the pulse-repetition frequency (PRF) in the UCDI method is limited for high-velocity flow imaging since it leverages between the number of plane-wave angles (N) and acquisition time. In this paper, we present high PRF ultrafast sliding compound Doppler imaging method (HUSDI) to improve quantitative flow analysis. With the HUSDI method, full scanline images (i.e., each tilted plane wave data) in a Doppler frame buffer are consecutively summed using a sliding window to create high-quality ensemble data so that there is no reduction in frame rate and flow sensitivity. In addition, by updating a new compounding set with a certain time difference (i.e., sliding window step size or L), the HUSDI method allows various Doppler PRFs with the same acquisition data to enable a fully qualitative, retrospective flow assessment. To evaluate the performance of the proposed HUSDI method, simulation, in vitro and in vivo studies were conducted under diverse flow circumstances. In the simulation and in vitro studies, the HUSDI method showed improved hemodynamic representations without reducing either temporal resolution or sensitivity compared to the UCDI method. For the quantitative analysis, the root mean squared velocity error (RMSVE) was measured using 9 angles (-12° to 12°) with L of 1 to 9, and the results were found to be comparable to those of the UCDI method (L=N=9), i.e., ≤ 0.24 cm/s, for all L values. For the in vivo study, the flow data acquired from a full cardiac cycle of the femoral vessels of a healthy volunteer were analyzed using a PW spectrogram, and arterial and venous flows were successfully assessed with

  12. Use of modulated excitation signals in medical ultrasound. Part III: High frame rate imaging

    DEFF Research Database (Denmark)

    Misaridis, Thanassis; Jensen, Jørgen Arendt

    2005-01-01

    For pt.II, see ibid., vol.52, no.2, p.192-207 (2005). This paper, the last from a series of three papers on the application of coded excitation signals in medical ultrasound, investigates the possibility of increasing the frame rate in ultrasound imaging by using modulated excitation signals. Lin...

  13. High temperature intermetallic compounds Ni{sub 3}Al

    Energy Technology Data Exchange (ETDEWEB)

    Kursa, M. [Vysoka Skola Banska, Ostrava (Czech Republic); Hypeska, L. [Vysoka Skola Banska, Ostrava (Czech Republic); Drapala, J. [Vysoka Skola Banska, Ostrava (Czech Republic); Karnik, T. [Vysoka Skola Banska, Ostrava (Czech Republic); Losertova, M. [Vysoka Skola Banska, Ostrava (Czech Republic)

    1995-11-01

    The paper describes the preparation of Ni3Al intermetallic compounds, and investigations of their structures in the as-cast, remelted, and annealed states. The materials were produced by three techniques : in a high frequency vacuum furnace, by zonal remelting in an electron beam furnace, and by remelting with unidirectional solidification. Those melted in an h. f. vacuum furnace and poured into graphite moulds had well developed dendritic structures, a Ni3Al ({gamma}`) phase, with interdendritic spaces formed by Ni5Al3 + {gamma}`. Many specimens contained shrinkage cavities. Unidirectional solidification allowed casting defects to be eliminated and the grain size to be controlled in dependence on the solidification rate. Rates from 650 to 60 mm per hour were tried to examine their effects on the grain size, homogeneity, and structure. The authors further investigated the influence of B and Zr additions on the solidification process and formation of the structure of Ni3Al. Annealing, in an argon atmosphere at 1100 C for various durations, was tried out for homogenizing the as-cast structures. (orig.).

  14. Minimum in the high-order harmonic generation spectrum from molecules: role of excited states

    DEFF Research Database (Denmark)

    Han, Yong-Chang; Madsen, Lars Bojer

    2010-01-01

    that the coherent laser coupling induced between the 2Σ+g(1sσg) ground state and the first excited 2Σ+u(2pσu) state leads to two dominating amplitudes for the high-order harmonic generation that may interfere: amplitudes describing recombination back into the σg and σu states, respectively. These two amplitudes may......We model the process of high-order harmonic generation by solving the time-dependent Schrödinger equation for H+2 in the fixed nuclei approximation including full 3D electron motion for nonvanishing angles between the nuclear axis and the linear polarization of the driving pulse. We show...... interfere destructively or constructively. The effect of a destructive interference is very clear through the occurrence of a minimum in the high-order harmonic spectrum. We show cases where such a minimum in the spectrum is approximately at the position predicted by the simple two-centre interference...

  15. Resonance radiation and high excitation of neutrals in plasma-gas interactions

    Energy Technology Data Exchange (ETDEWEB)

    Litnovsky, A.M. E-mail: litnovsky@mtu-net.ru; Khripunov, B.I.; Sholin, G.V.; Petrov, V.B.; Shapkin, V.V.; Antonov, N.V

    2001-03-01

    Experimental investigation of plasma-gas interaction has been performed in LENTA linear facility in order to model processes expected to occur in the divertor of a fusion tokamak reactor. Steady-state helium plasma with density {approx}(0.2-3)x10{sup 13} cm{sup -3} generated by beam-plasma discharge flowed into the region with high neutral pressure, interacted with neutral helium there and then reached the target plate. An intensive volume recombination and significant decrease in plasma pressure have been observed while the plasma stream interacted with gas target. Electron temperature fell below 1 eV. These processes were accompanied by an intensive emission from highly excited helium atoms and this radiation became even higher with increase in neutral pressure. Microwave emission absorption at high (P{sub gas}=20 mTorr) neutral pressures in the gas target was detected. A model of plasma-gas transition layer was developed to provide physics understanding of these phenomena. Resonance radiation and stimulated radiative recombination play an important role in this model.

  16. Research of the Electron Cyclotron Emission with Vortex Property excited by high power high frequency Gyrotron

    Science.gov (United States)

    Goto, Yuki; Kubo, Shin; Tsujimura, Tohru; Takubo, Hidenori

    2017-10-01

    Recently, it has been shown that the radiation from a single electron in cyclotron motion has vortex property. Although the cyclotron emission exists universally in nature, the vortex property has not been featured because this property is normally cancelled out due to the randomness in gyro-phase of electrons and the development of detection of the vortex property has not been well motivated. In this research, we are developing a method to generate the vortex radiation from electrons in cyclotron motion with controlled gyro-phase. Electron that rotates around the uniform static magnetic field is accelerated by right-hand circular polarized (RHCP) radiation resonantly when the cyclotron frequency coincides with the applied RHCP radiation frequency. A large number of electrons can be coherently accelerated in gyro-phase by a RHCP high power radiation so that these electrons can radiate coherent emission with vortex feature. We will show that vortex radiation created by purely rotating electrons for the first time.

  17. Photoelectrolysis of water at high current density - Use of ultraviolet laser excitation

    Science.gov (United States)

    Bocarsly, A. B.; Bolts, J. M.; Cummins, P. G.; Wrighton, M. S.

    1977-01-01

    The behavior of TiO2 and SrTiO3 photoanodes in cells for the photoelectrolysis of H2O has been investigated for high-intensity 351-,364-nm excitation from an Ar ion laser. Intensities up to 380 W/sq cm have been used. For TiO2 a small amount of surface decomposition is found after irradiation at high intensity, whereas SrTiO3 undergoes no detectable changes. Current-voltage properties for both electrodes are essentially independent of light intensity up to the level of 380 W/sq cm, and there is little if any change in quantum efficiency for electron flow. Photocurrent densities have been shown to exceed 5 A/sq cm for O2 evolution. Data show that the energy storage rate associated with the SrTiO3 photoelectrolysis can exceed 30 W/sq cm; this represents the highest demonstrated rate of sustained optical-to-chemical energy conversion.

  18. Sorbic acid as a quantitative probe for the formation, scavenging and steady-state concentrations of the triplet-excited state of organic compounds.

    Science.gov (United States)

    Grebel, Janel E; Pignatello, Joseph J; Mitch, William A

    2011-12-01

    Sorbic acid (trans,trans-hexadienoic acid) was developed as a probe for the quantification of the formation rate, overall solution scavenging rate and steady-state concentrations of triplet-excited states of organic compounds. The method was validated against literature data for the quenching rate constant of triplet benzophenone by tyrosine obtained by laser flash photolysis and by Stern-Volmer plots of phosphorescence quenching. In contrast to these methods, the probe method does not require knowledge of the optical properties of triplets to monitor their quenching. Moreover, the probe method permits simultaneous quantification of triplet formation, quenching and steady-state concentrations during illumination of complex chromophore mixtures, such as natural organic matter (NOM), with polychromatic light >315 nm. Application of the method to de-aerated Suwannee River NOM illuminated with polychromatic light (315-430 nm) resulted in a triplet quantum yield of 0.062. Copyright © 2011 Elsevier Ltd. All rights reserved.

  19. Synthesis and Optical Properties of Excited-State Intramolecular Proton Transfer Active π-Conjugated Benzimidazole Compounds: Influence of Structural Rigidification by Ring Fusion.

    Science.gov (United States)

    Takagi, Koji; Ito, Kaede; Yamada, Yoshihiro; Nakashima, Takuya; Fukuda, Ryoichi; Ehara, Masahiro; Masu, Hyuma

    2017-12-01

    Two excited-state intramolecular proton transfer (ESIPT) active benzimidazole derivatives (1 and 2) were synthesized by acid-catalyzed intramolecular cyclization. The steady-state fluorescence spectrum in THF revealed that ring-fused derivative 1 exhibits a dual emission, namely, the major emission was from the K* (keto) form (ESIPT emission) at 515 nm with a large Stokes shift of 11 100 cm-1 and the minor emission was from the E* (enol) form at below 400 nm. In contrast, the normal emission from the E* form was dominant and the fluorescence quantum yield was very low (Φ ∼ 0.002) for nonfused derivative 2. The time-resolved fluorescence spectroscopy of 1 suggested that ESIPT effectively occurs due to the restricted conformational transition to the S1-TICT state, and the averaged radiative and nonradiative decay rate constants were estimated as ⟨kf⟩ = 0.15 ns-1 and ⟨knr⟩ = 0.60 ns-1, respectively. The fluorescence emission of 1 was influenced by the measurement conditions, such as solvent polarity and basicity, as well as the presence of Lewis base. The ESIPT process and solvatochromic behavior were nicely reproduced by the DFT/TDDFT calculation using the PCM model. In the single-crystal fluorescent spectra, the ESIPT emissions were exclusively observed for both fused and nonfused compounds as a result of hydrogen-bonding interactions.

  20. Longitudinally excited CO2 laser with short laser pulse operating at high repetition rate

    Science.gov (United States)

    Li, Jianhui; Uno, Kazuyuki; Akitsu, Tetsuya; Jitsuno, Takahisa

    2016-11-01

    A short-pulse longitudinally excited CO2 laser operating at a high repetition rate was developed. The discharge tube was made of a 45 cm-long or 60 cm-long dielectric tube with an inner diameter of 16 mm and two metallic electrodes at the ends of the tube. The optical cavity was formed by a ZnSe output coupler with a reflectivity of 85% and a high-reflection mirror. Mixed gas (CO2:N2:He = 1:1:2) was flowed into the discharge tube. A high voltage of about 33 kV with a rise time of about 200 ns was applied to the discharge tube. At a repetition rate of 300 Hz and a gas pressure of 3.4 kPa, the 45 cm-long discharge tube produced a short laser pulse with a laser pulse energy of 17.5 mJ, a spike pulse energy of 0.2 mJ, a spike width of 153 ns, and a pulse tail length of 90 μs. The output power was 5.3 W. The laser pulse waveform did not depend on the repetition rate, but the laser beam profile did. At a low repetition rate of less than 50 Hz, the laser beam had a doughnut-like shape. However, at a high repetition rate of more than 150 Hz, the discharge concentrated at the center of the discharge tube, and the intensity at the center of the laser beam was higher. The laser beam profile depended on the distribution of the discharge. An output power of 7.0 W was achieved by using the 60 cm-long tube.

  1. Quantum transitions of minimum energy for Hawking quanta in highly excited black holes

    CERN Document Server

    Corda, Christian

    2012-01-01

    By adding an hypothesis of the locality of particle emission in a black hole, Yoon recently argued that, differently from previous literature, in loop quantum gravity the Hawking radiation spectrum is discrete even in the case that the allowed area is not simply the integer multiples of a single unit area. This looks consistent with our observation that the non-strictly thermal character of Hawking radiation implies that the spectrum is also not strictly continuous. Yoon also found that the Hawking radiation spectrum is truncated below a certain frequency, given a certain Hawking temperature of the black hole T_{H}, corresponding to a minimum energy of an emitted particle E_{min}\\approx\\alpha T_{H} where alpha is a constant which depends on the considered scenario (isolated horizon scenario, Tanaka-Tamaki scenario Kong-Yoon scenario). We match these results with our recent result that permits to find the frequency of emission for highly excited black hole's transitions between different levels if one interpre...

  2. Full-field modal analysis during base motion excitation using high-speed 3D digital image correlation

    Science.gov (United States)

    Molina-Viedma, Ángel J.; López-Alba, Elías; Felipe-Sesé, Luis; Díaz, Francisco A.

    2017-10-01

    In recent years, many efforts have been made to exploit full-field measurement optical techniques for modal identification. Three-dimensional digital image correlation using high-speed cameras has been extensively employed for this purpose. Modal identification algorithms are applied to process the frequency response functions (FRF), which relate the displacement response of the structure to the excitation force. However, one of the most common tests for modal analysis involves the base motion excitation of a structural element instead of force excitation. In this case, the relationship between response and excitation is typically based on displacements, which are known as transmissibility functions. In this study, a methodology for experimental modal analysis using high-speed 3D digital image correlation and base motion excitation tests is proposed. In particular, a cantilever beam was excited from its base with a random signal, using a clamped edge join. Full-field transmissibility functions were obtained through the beam and converted into FRF for proper identification, considering a single degree-of-freedom theoretical conversion. Subsequently, modal identification was performed using a circle-fit approach. The proposed methodology facilitates the management of the typically large amounts of data points involved in the DIC measurement during modal identification. Moreover, it was possible to determine the natural frequencies, damping ratios and full-field mode shapes without requiring any additional tests. Finally, the results were experimentally validated by comparing them with those obtained by employing traditional accelerometers, analytical models and finite element method analyses. The comparison was performed by using the quantitative indicator modal assurance criterion. The results showed a high level of correspondence, consolidating the proposed experimental methodology.

  3. Numerical Investigation on Wheel-Rail Dynamic Vibration Excited by Rail Spalling in High-Speed Railway

    OpenAIRE

    Kaiyun Wang; Wanming Zhai; Kaikai Lv; Zaigang Chen

    2016-01-01

    Spalling in contact surface of rail is a typical form of rolling contact fatigue, which is a difficult problem to solve in railway. Once the spalling occurs in the rail, the wheel-rail dynamic interaction will become more severe. The wheel-rail dynamic interaction is investigated based on the theory of vehicle-track coupled dynamics in this paper, where the excitation modes of the rail spalling failure are taken into consideration for high-speed wheel-rail system. A modified excitation model ...

  4. Widefield Two-Photon Excitation without Scanning: Live Cell Microscopy with High Time Resolution and Low Photo-Bleaching.

    Directory of Open Access Journals (Sweden)

    Rumelo Amor

    Full Text Available We demonstrate fluorescence imaging by two-photon excitation without scanning in biological specimens as previously described by Hwang and co-workers, but with an increased field size and with framing rates of up to 100 Hz. During recordings of synaptically-driven Ca(2+ events in primary rat hippocampal neurone cultures loaded with the fluorescent Ca(2+ indicator Fluo-4 AM, we have observed greatly reduced photo-bleaching in comparison with single-photon excitation. This method, which requires no costly additions to the microscope, promises to be useful for work where high time-resolution is required.

  5. Evolution and excitation conditions of outflows in high-mass star-forming regions

    Science.gov (United States)

    Sánchez-Monge, Á.; López-Sepulcre, A.; Cesaroni, R.; Walmsley, C. M.; Codella, C.; Beltrán, M. T.; Pestalozzi, M.; Molinari, S.

    2013-09-01

    Context. Theoretical models suggest that massive stars form via disk-mediated accretion in a similar fashion to low-mass stars. In this scenario, bipolar outflows ejected along the disk axis play a fundamental role, and their study can help characterize the different evolutionary stages involved in the formation of a high-mass star. A recent study toward massive molecular outflows has revealed a decrease in the SiO line intensity as the object evolves. Aims: The present study aims to characterize the variation of the molecular outflow properties with time and to study the SiO excitation conditions in outflows associated with high-mass young stellar objects (YSOs). Methods: We used the IRAM 30-m telescope on Pico Veleta (Spain) to map 14 high-mass star-forming regions in the SiO (2-1), SiO (5-4), and HCO+ (1-0) lines, which trace the molecular outflow emission. The FTS backend, covering a total frequency range of ~15 GHz, allowed us to simultaneously map several dense gas (e.g., N2H+, C2H, NH2D, H13CN) and hot-core (CH3CN) tracers. We used the Hi-GAL data to improve the previous spectral energy distributions and obtained a more accurate dust envelope mass and bolometric luminosity for each source. We calculated the luminosity-to-mass ratio, which is believed to be a good indicator of the evolutionary stage of the YSO. Results: We detect SiO and HCO+ outflow emission in all fourteen sources and bipolar structures in six of them. The outflow parameters are similar to those found toward other massive YSOs with luminosities 103-104L⊙. We find an increase in the HCO+ outflow energetics as the object evolves, and a decrease in the SiO abundance with time from 10-8 to 10-9. The SiO (5-4) to (2-1) line ratio is found to be low at the ambient gas velocity, and increases as we move to red-/blue-shifted velocities, indicating that the excitation conditions of the SiO change with the velocity of the gas. In particular, the high-velocity SiO gas component seems to arise from

  6. ANISOTROPY EFFECTS IN SINGLE-ELECTRON TRANSFER BETWEEN LASER-EXCITED ATOMS AND HIGHLY-CHARGED IONS

    NARCIS (Netherlands)

    Recent collision experiments are reviewed in which one-electron transfer between laser excited target atoms and (highly charged) keV-ions has been studied. Especially results showing a dependence of the charge exchange on the initial target orbital alignment are discussed. The question to what

  7. A Preliminary Transcranial Magnetic Stimulation Study of Cortical Inhibition and Excitability in High-Functioning Autism and Asperger Disorder

    Science.gov (United States)

    Enticott, Peter G.; Rinehart, Nicole J.; Tonge, Bruce J.; Bradshaw, John L.; Fitzgerald, Paul B.

    2010-01-01

    Aim: Controversy surrounds the distinction between high-functioning autism (HFA) and Asperger disorder, but motor abnormalities are associated features of both conditions. This study examined motor cortical inhibition and excitability in HFA and Asperger disorder using transcranial magnetic stimulation (TMS). Method: Participants were diagnosed by…

  8. Hubble-type outflows of the high-excitation, poly-polar planetary nebula NGC 6302 -- from expansion proper motions

    DEFF Research Database (Denmark)

    Meaburn, J.; Lloyd, M.; Vaytet, N. M. H.

    2007-01-01

    The ouflowing proper motions of fifteen knots in the dominant northwestern lobe of the high-excitation poly-polar planetary nebula NGC 6302 have been determined by comparing their positions relative to those of faint stars in an image taken at the San Pedro Martir Observatory in 2007 to those in ...

  9. Proton transfer in 3-hydroxyflavone studied by high-resolution 10 K laser-excited Shpol'skii spectroscopy

    NARCIS (Netherlands)

    Bader, A.N.; Ariese, F.; Gooijer, C.

    2002-01-01

    High-resolution 10 K Shpol'skii spectra of 3-hydroxyflavone (3HF) and its deuterated analogue (3DF) in n-octane and n-octane/octanol mixtures are presented for the first time. In pure n-octane for both 3HF and 3DF, well-resolved excitation and emission spectra were observed, showing fluorescence

  10. Red-detuned, high-intensity, short-duration sweet spot for impulsive X-ray Raman excitation in atoms

    CERN Document Server

    Ware, Matthew R; Haxton, Daniel J

    2016-01-01

    Impulsive X-ray Raman excitations of Lithium, Neon, and Sodium are calculated using the Multiconfiguration Time-Dependent Hartree-Fock method. Using linearly polarized laser pulses without chirp, we determine the optimum central frequency, intensity, and duration for maximum population transfer to valence excited states. We demonstrate the existence of two "sweet spots" for optimum population transfer, either of which, depending on the system, may be superior. The "red-detuned hypothesis" is the proposition that population transfer can be maximized by nonresonant Raman transitions, red-detuned below K-edge, because such detuning minimizes core-excited populations and ionization loss. We find that this hypothesis is verified in the case of Neon -- for Neon, the global optimum for population transfer occurs at high intensity (8 $\\times$ 10$^{19}$ W cm$^{-2}$), short duration (82as full-width-at-half-maximum), and 24eV red-detuned from the K-edge.

  11. Direct observation of low energy nuclear spin excitations in HoCrO3 by high resolution neutron spectroscopy.

    Science.gov (United States)

    Chatterji, T; Jalarvo, N; Kumar, C M N; Xiao, Y; Brückel, Th

    2013-07-17

    We have investigated low energy nuclear spin excitations in the strongly correlated electron compound HoCrO3. We observe clear inelastic peaks at E = 22.18 ± 0.04 μeV in both energy loss and gain sides. The energy of the inelastic peaks remains constant in the temperature range 1.5-40 K at which they are observed. The intensity of the inelastic peak increases at first with increasing temperature and then decreases at higher temperatures. The temperature dependence of the energy and intensity of the inelastic peaks is very unusual compared to that observed in other Nd, Co, V and also simple Ho compounds. Huge quasielastic scattering appears at higher temperatures presumably due to the fluctuating electronic moments of the Ho ions that get increasingly disordered at higher temperatures. The strong quasielastic scattering may also originate in the first Ho crystal-field excitations at about 1.5 meV.

  12. Natural compounds as corrosion inhibitors for highly cycled systems

    Energy Technology Data Exchange (ETDEWEB)

    Quraishi, M.A.; Farooqi, I.H.; Saini, P.A. [Corrosion Research Lab., Aligarh (India)

    1999-11-01

    Strict environmental legislations have led to the development of green inhibitors in recent years. In continuation of the authors` research work on development of green inhibitors, they have investigated the aqueous extracts of three plants namely: Azadirachta indica, Punica Granatum and Momordica charantia as corrosion inhibitors for mild steel in 3% NaCl using weight loss and electrochemical methods. All the investigated compounds exhibited excellent corrosion inhibition properties comparable to that of HEDP. Azadirachta showed better scale inhibition effect than HEDP.

  13. Effects of excitation around jet preferred mode Strouhal number in high-speed jets

    Science.gov (United States)

    Kuo, Ching-Wen; Cluts, Jordan; Samimy, Mo

    2017-04-01

    It has been widely reported in the literature that the jet preferred mode Strouhal number varies over a large range of 0.2-0.6, depending upon the facility where the measurement is made as well as the measurement techniques and the location in the jet plume where the measurement is taken. This study investigates this wide variation and potential explanations for it. Active flow control is used to show that the jet is receptive to excitation over a large range of Strouhal numbers and azimuthal modes. The wide variation in the preferred mode Strouhal number is shown to be tightly linked to the evolution, spacing, and scale of the coherent flow structures, which dominate the jet shear layer's development. The low-end of the range is determined by the minimum Strouhal number at which structures begin to interact with one another in the jet plume. Below this range, structures have no significant effect on the plume's statistical properties. For Strouhal numbers at the high-end of the range, the development of coherent flow structures shifts upstream toward the nozzle exit and the structures disintegrate earlier in the jet plume. The earlier development and disintegration prevent these structures from strongly impacting the entire flowfield. The results imply that upstream perturbations in the flow present in various facilities could be responsible for the variations in the measured jet preferred mode Strouhal number. Experimental results from schlieren imaging and near- and far-field microphone measurements are used to investigate the preferred mode Strouhal number across this range.

  14. Gravitational Waves from F-modes Excited by the Inspiral of Highly Eccentric Neutron Star Binaries

    Energy Technology Data Exchange (ETDEWEB)

    Chirenti, Cecilia [Centro de Matemática, Computação e Cognição, UFABC, 09210-170 Santo André-SP (Brazil); Gold, Roman [Perimeter Institute for Theoretical Physics, 31 Caroline Street North, Waterloo, ON N2L 2Y5 (Canada); Miller, M. Coleman [Department of Astronomy and Joint Space-Science Institute, University of Maryland, College Park, MD 20742-2421 (United States)

    2017-03-01

    As gravitational wave instrumentation becomes more sensitive, it is interesting to speculate about subtle effects that could be analyzed using upcoming generations of detectors. One such effect that has great potential for revealing the properties of very dense matter is fluid oscillations of neutron stars. These have been found in numerical simulations of the hypermassive remnants of double neutron star mergers and of highly eccentric neutron star orbits. Here we focus on the latter and sketch out some ideas for the production, gravitational-wave detection, and analysis of neutron star oscillations. These events will be rare (perhaps up to several tens per year could be detected using third-generation detectors such as the Einstein Telescope or the Cosmic Explorer), but they would have unique diagnostic power for the analysis of cold, catalyzed, dense matter. Furthermore, these systems are unusual in that analysis of the tidally excited f-modes of the stars could yield simultaneous measurements of their masses, moments of inertia, and tidal Love numbers, using the frequency, damping time, and amplitude of the modes. They would thus present a nearly unique opportunity to test the I-Love-Q relation observationally. The analysis of such events will require significant further work in nuclear physics and general relativistic nonlinear mode coupling, and thus we discuss further directions that will need to be pursued. For example, we note that for nearly grazing encounters, numerical simulations show that the energy delivered to the f-modes may be up to two orders of magnitude greater than predicted in the linear theory.

  15. Novel lithium-nitrogen compounds at ambient and high pressures

    Science.gov (United States)

    Shen, Yanqing; Oganov, Artem R.; Qian, Guangri; Zhang, Jin; Dong, Huafeng; Zhu, Qiang; Zhou, Zhongxiang

    2015-09-01

    Using ab initio evolutionary simulations, we predict the existence of five novel stable Li-N compounds at pressures from 0 to 100 GPa (Li13N, Li5N, Li3N2, LiN2, and LiN5). Structures of these compounds contain isolated N atoms, N2 dimers, polyacetylene-like N chains and N5 rings, respectively. The structure of Li13N consists of Li atoms and Li12N icosahedra (with N atom in the center of the Li12 icosahedron) - such icosahedra are not described by Wade-Jemmis electron counting rules and are unique. Electronic structure of Li-N compounds is found to dramatically depend on composition and pressure, making this system ideal for studying metal-insulator transitions. For example, the sequence of lowest-enthalpy structures of LiN3 shows peculiar electronic structure changes with increasing pressure: metal-insulator-metal-insulator. This work also resolves the previous controversies of theory and experiment on Li2N2.

  16. Electron beam excitation assisted optical microscope with ultra-high resolution.

    Science.gov (United States)

    Inami, Wataru; Nakajima, Kentaro; Miyakawa, Atsuo; Kawata, Yoshimasa

    2010-06-07

    We propose electron beam excitation assisted optical microscope, and demonstrated its resolution higher than 50 nm. In the microscope, a light source in a few nanometers size is excited by focused electron beam in a luminescent film. The microscope makes it possible to observe dynamic behavior of living biological specimens in various surroundings, such as air or liquids. Scan speed of the nanometric light source is faster than that in conventional near-field scanning optical microscopes. The microscope enables to observe optical constants such as absorption, refractive index, polarization, and their dynamic behavior on a nanometric scale. The microscope opens new microscopy applications in nano-technology and nano-science.

  17. Theoretical Studies of Possible Synthetic Routes for the High Energy Density Material Td N4: Excited Electronic States

    Science.gov (United States)

    Lee, Timothy J.; Dateo, Christopher E.

    2001-01-01

    Vertical electronic excitation energies for single states have been computed for the high energy density material (HEDM) Td N4 in order to assess possible synthetic routes that originate from excited electronic states of N2 molecules. Several ab initio theoretical approaches have been used, including complete active space self-consistent field (CASSCF), state averaged CASSCF (SA-CASSCF), singles configuration interaction (CIS), CIS with second-order and third-order correlation corrections [CIS(D)) and CIS(3)], and linear response singles and doubles coupled-cluster (LRCCSD), which is the highest level of theory employed. Standard double zeta polarized (DZP) and triple zeta double polarized (TZ2P) one-particle basis sets were used. The CASSCF calculations are found to overestimate the excitation energies, while the SA-CASSCF approach rectifies this error to some extent, but not completely. The accuracy of the CIS calculations varied depending on the particular state, while the CIS(D), CIS(3), and LRCCSD results are in generally good agreement. Based on the LRCCSD calculations, the lowest six excited singlet states are 9.35(l(sup)T1), 10.01(l(sup)T2), 10.04(1(sup)A2), 10.07(1(sup)E), 10.12(2(sup)T1), and 10.42(2(sup)T2) eV above the ground state, respectively. Comparison of these excited state energies with the energies of possible excited states of N2+N2 fragments, leads us to propose that the most likely synthetic route for Td N4 involving this mechanism arises from combination of two bound quintet states of N2.

  18. A full-spectrum analysis of high-speed train interior noise under multi-physical-field coupling excitations

    Science.gov (United States)

    Zheng, Xu; Hao, Zhiyong; Wang, Xu; Mao, Jie

    2016-06-01

    High-speed-railway-train interior noise at low, medium, and high frequencies could be simulated by finite element analysis (FEA) or boundary element analysis (BEA), hybrid finite element analysis-statistical energy analysis (FEA-SEA) and statistical energy analysis (SEA), respectively. First, a new method named statistical acoustic energy flow (SAEF) is proposed, which can be applied to the full-spectrum HST interior noise simulation (including low, medium, and high frequencies) with only one model. In an SAEF model, the corresponding multi-physical-field coupling excitations are firstly fully considered and coupled to excite the interior noise. The interior noise attenuated by sound insulation panels of carriage is simulated through modeling the inflow acoustic energy from the exterior excitations into the interior acoustic cavities. Rigid multi-body dynamics, fast multi-pole BEA, and large-eddy simulation with indirect boundary element analysis are first employed to extract the multi-physical-field excitations, which include the wheel-rail interaction forces/secondary suspension forces, the wheel-rail rolling noise, and aerodynamic noise, respectively. All the peak values and their frequency bands of the simulated acoustic excitations are validated with those from the noise source identification test. Besides, the measured equipment noise inside equipment compartment is used as one of the excitation sources which contribute to the interior noise. Second, a full-trimmed FE carriage model is firstly constructed, and the simulated modal shapes and frequencies agree well with the measured ones, which has validated the global FE carriage model as well as the local FE models of the aluminum alloy-trim composite panel. Thus, the sound transmission loss model of any composite panel has indirectly been validated. Finally, the SAEF model of the carriage is constructed based on the accurate FE model and stimulated by the multi-physical-field excitations. The results show

  19. A semi-classical approach to the calculation of highly excited rotational energies for asymmetric-top molecules.

    Science.gov (United States)

    Schmiedt, Hanno; Schlemmer, Stephan; Yurchenko, Sergey N; Yachmenev, Andrey; Jensen, Per

    2017-01-18

    We report a new semi-classical method to compute highly excited rotational energy levels of an asymmetric-top molecule. The method forgoes the idea of a full quantum mechanical treatment of the ro-vibrational motion of the molecule. Instead, it employs a semi-classical Green's function approach to describe the rotational motion, while retaining a quantum mechanical description of the vibrations. Similar approaches have existed for some time, but the method proposed here has two novel features. First, inspired by the path integral method, periodic orbits in the phase space and tunneling paths are naturally obtained by means of molecular symmetry analysis. Second, the rigorous variational method is employed for the first time to describe the molecular vibrations. In addition, we present a new robust approach to generating rotational energy surfaces for vibrationally excited states; this is done in a fully quantum-mechanical, variational manner. The semi-classical approach of the present work is applied to calculating the energies of very highly excited rotational states and it reduces dramatically the computing time as well as the storage and memory requirements when compared to the fullly quantum-mechanical variational approach. Test calculations for excited states of SO2 yield semi-classical energies in very good agreement with the available experimental data and the results of fully quantum-mechanical calculations.

  20. Cluster excitation and ionization in high velocity collisions:the atomic approach

    OpenAIRE

    Mezdari, Férid; Wohrer-Béroff, Karine; Chabot, Marin

    2004-01-01

    NIM; The independent atom and electron model [1] is introduced in a quantum context and associated approximations tentatively estimated. Confrontation of the model to measured ionization and excitation cross sections of small ionic carbon clusters Cn+ in collisions with helium at an impact velocity of 2.6 a.u is presented.

  1. Stiffening effects of high-frequency excitation: experiments for an axially loaded beam

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard; Tcherniak, Dmitri; Thomsen, Jon Juel

    2000-01-01

    expression is presented, that relates the effective natural frequencies of the beam to the intensity of harmonic ex-citation. Experiments performed with a laboratory beam confirm the general tendency of this prediction, though there are discrepancies that cannot be explained in the framework of the linear...... Galerkin-discretised beam model....

  2. Laser Two-Proton Excited Fluorometric Detection for High Pressure Liquid Chromatography

    Energy Technology Data Exchange (ETDEWEB)

    Sepaniak, Michael J. [Iowa State Univ., Ames, IA (United States)

    1977-12-01

    The aim of this thesis is to explore the potential of the laser in fluorometric HPLC detection. To this end research efforts which show the improved selectivity (without loss of sensitivity) of laser two-photon excited fluorometric (LTPEF) detection will be presented, followed by suggestions for further study involving additional modes of laser fluorometric detection.

  3. Competing phenomena high-seniority excitations and gamma-softness in sup 1 sup 8 sup 4 Os

    CERN Document Server

    Wheldon, C; Newman, R T; Walker, P M; Pearson, C J; Byrne, A P; Baxter, A M; Bayer, S; Kibedi, T; McGoram, T R; Mullins, S M; Xu, F R

    2002-01-01

    The nuclear structure of the stable nucleus sup 1 sup 8 sup 4 sub 7 sub 6 Os has been studied including five newly identified rotational bands built on 2-quasiparticle K suppi=0 sup + , 6 sup - , 8 sup - couplings. The excitation energies of the proposed multi-quasiparticle excitations are in good agreement with predictions of blocked BCS calculations. The interaction responsible for the first band crossing, caused by a high-K tilted 2-neutron configuration, is calculated and a new interpretation presented for the yrast states after the interaction. A second crossing with an aligned s-beta band is also reported. The yrast behaviour at high spins is dominated by a wealth of short-lived (nanoseconds and shorter) high-K levels. The low reduced hindrances for intrinsic state decays are discussed, and attributed to the triaxial shapes and fluctuations predicted by configuration-constrained potential-energy-surface calculations. Comparisons with neighbouring nuclei are made.

  4. A highly efficient surface plasmon polaritons excitation achieved with a metal-coupled metal-insulator-metal waveguide

    Directory of Open Access Journals (Sweden)

    Hongyan Yang

    2014-12-01

    Full Text Available We propose a novel metal-coupled metal-insulator-metal (MC-MIM waveguide which can achieve a highly efficient surface plasmon polaritons (SPPs excitation. The MC-MIM waveguide is formed by inserting a thin metal film in the insulator of an MIM. The introduction of the metal film, functioning as an SPPs coupler, provides a space for the interaction between SPPs and a confined electromagnetic field of the intermediate metal surface, which makes energy change and phase transfer in the metal-dielectric interface, due to the joint action of incomplete electrostatic shielding effect and SPPs coupling. Impacts of the metal film with different materials and various thickness on SPPs excitation are investigated. It is shown that the highest efficient SPPs excitation is obtained when the gold film thickness is 60 nm. The effect of refractive index of upper and lower symmetric dielectric layer on SPPs excitation is also discussed. The result shows that the decay value of refractive index is 0.3. Our results indicate that this proposed MC-MIM waveguide may offer great potential in designing a new SPPs source.

  5. Highly-sensitive Eu3+ ratiometric thermometers based on excited state absorption with predictable calibration

    Science.gov (United States)

    Souza, Adelmo S.; Nunes, Luiz A. O.; Silva, Ivan G. N.; Oliveira, Fernando A. M.; da Luz, Leonis L.; Brito, Hermi F.; Felinto, Maria C. F. C.; Ferreira, Rute A. S.; Júnior, Severino A.; Carlos, Luís D.; Malta, Oscar L.

    2016-02-01

    Temperature measurements ranging from a few degrees to a few hundreds of Kelvin are of great interest in the fields of nanomedicine and nanotechnology. Here, we report a new ratiometric luminescent thermometer using thermally excited state absorption of the Eu3+ ion. The thermometer is based on the simple Eu3+ energy level structure and can operate between 180 and 323 K with a relative sensitivity ranging from 0.7 to 1.7% K-1. The thermometric parameter is defined as the ratio between the emission intensities of the 5D0 --> 7F4 transition when the 5D0 emitting level is excited through the 7F2 (physiological range) or 7F1 (down to 180 K) level. Nano and microcrystals of Y2O3:Eu3+ were chosen as a proof of concept of the operational principles in which both excitation and detection are within the first biological transparent window. A novel and of paramount importance aspect is that the calibration factor can be calculated from the Eu3+ emission spectrum avoiding the need for new calibration procedures whenever the thermometer operates in different media.Temperature measurements ranging from a few degrees to a few hundreds of Kelvin are of great interest in the fields of nanomedicine and nanotechnology. Here, we report a new ratiometric luminescent thermometer using thermally excited state absorption of the Eu3+ ion. The thermometer is based on the simple Eu3+ energy level structure and can operate between 180 and 323 K with a relative sensitivity ranging from 0.7 to 1.7% K-1. The thermometric parameter is defined as the ratio between the emission intensities of the 5D0 --> 7F4 transition when the 5D0 emitting level is excited through the 7F2 (physiological range) or 7F1 (down to 180 K) level. Nano and microcrystals of Y2O3:Eu3+ were chosen as a proof of concept of the operational principles in which both excitation and detection are within the first biological transparent window. A novel and of paramount importance aspect is that the calibration factor can be

  6. Construction of high efficiency non-doped deep blue emitters based on phenanthroimidazole: remarkable substitution effects on the excited state properties and device performance.

    Science.gov (United States)

    Wang, Zhiming; Feng, Ying; Zhang, Shitong; Gao, Yu; Gao, Zhao; Chen, Yanming; Zhang, Xiaojuan; Lu, Ping; Yang, Bing; Chen, Ping; Ma, Yuguang; Liu, Shiyong

    2014-10-14

    Aryl-substituted phenanthroimidazoles (APIs) are beneficial due to their facile synthesis, thermal properties, high quantum yields, and exciton efficiencies obtained by a reverse intersystem crossing (RISC) process. However, it is puzzling how to combine high quantum yields, exciton utilizing ratios and color purity with stable blue-emitting compounds via coupling. Here, BPPI and N-BPPI are utilized as model compounds for understanding C2- and N1-substitution effects via constructing dimers in each coupling position. By integrating the information obtained from DFT calculations, photophysical analysis, and OLED performance, valuable guidance was obtained. C2-substituted groups typically offer a large orbital overlap between the LE states with large oscillator strengths, and play an important role in the maximum peak area and quantum yields. N1-substituted groups contribute to enhanced orbital coupling and cause excitons to transform freely between different excited states. Unexpected results from the decreased barriers of the N1-coupled system included the loss of PL efficiency and increased emission spectral width, which are important for efficiency and color purity of deep blue emitters. The substitution effects are consistent with most reported results. Therefore, this work may be useful for the generation of non-doped deep blue electroluminescent API-based materials.

  7. Excitation spectrum and high-energy plasmons in single-layer and multilayer graphene

    Science.gov (United States)

    Yuan, Shengjun; Roldán, Rafael; Katsnelson, Mikhail I.

    2011-07-01

    In this paper we study the excitation spectrum of single-layer and multilayer graphene beyond the Dirac cone approximation. The dynamical polarizability of graphene is computed using a full π-band tight-binding model, considering the possibility of interlayer hopping in the calculation. The effect of electron-electron interaction is considered within the random phase approximation. We further discuss the effect of disorder in the spectrum, which leads to a smearing of the absorption peaks. Our results show a redshift of the π-plasmon dispersion of single-layer graphene with respect to graphite, in agreement with experimental results. The inclusion of interlayer hopping in the kinetic Hamiltonian of multilayer graphene is found to be very important to properly capture the low energy region of the excitation spectrum.

  8. Isolation and identification of phenolic compounds accumulated in brown rice grains ripened under high air temperature.

    Science.gov (United States)

    Nakano, Hiroshi; Ono, Hiroshi; Iwasawa, Norio; Takai, Toshiyuki; Arai-Sanoh, Yumiko; Kondo, Motohiko

    2013-12-11

    This study aimed to examine the compounds increasing or decreasing in concentration in brown rice grains ripened under high air temperature during ripening using a heat-tolerant cultivar Fusaotome, a heat-intolerant cultivar Hatsuboshi, and an intermediate cultivar Koshihikari. 6-O-Feruloylsucrose (1), 3',6-di-O-sinapoylsucrose (2), 3'-O-sinapoyl-6-O-feruloylsucrose (3), 3',6-di-O-feruloylsucrose (4), cycloartenyl ferulate (5), and 24-methylenecycloartanyl ferulate (6) were isolated from the extracts of brown rice grains. The structures of the isolated compounds (1-6) were elucidated on the basis of spectroscopic analyses. The mean concentrations of compounds 2, 3, and 6 in the grains ripened under high air temperature were markedly higher than those ripened under normal air temperature. In contrast, the mean concentration of compound 5 in the grains ripened under high air temperature was markedly lower than those ripened under normal air temperature. Thus, compounds 2, 3, 5, and 6 constitute potential biomarkers of heat stress in the cultivars used. The mean concentrations of compound 4 in the grains of Fusaotome were the highest in all cultivars. In contrast, the mean concentration of compound 5 in the grains of Fusaotome was the lowest. Therefore, the unique composition of heat-tolerant Fusaotome combines a high concentration of compound 4 with a low concentration of compound 5.

  9. Excitation spectrum and high energy plasmons in single- and multi-layer graphene

    OpenAIRE

    Yuan, Shengjun; Roldán, Rafael; Katsnelson, Mikhail I.

    2011-01-01

    In this paper we study the excitation spectrum of single- and multi-layer graphene beyond the Dirac cone approximation. The dynamical polarizability of graphene is computed using a full $\\pi$-band tight-binding model, considering the possibility of inter-layer hopping in the calculation. The effect of electron-electron interaction is considered within the random phase approximation. We further discuss the effect of disorder in the spectrum, which leads to a smearing of the absorption peaks. O...

  10. Study of ultra-high gradient wakefield excitation by intense ultrashort laser pulses in plasma

    CERN Document Server

    Kotaki, H

    2002-01-01

    We investigate a mechanism of nonlinear phenomena in laser-plasma interaction, a laser wakefield excited by intense laser pulses, and the possibility of generating an intense bright electron source by an intense laser pulse. We need to understand and further employ some of these phenomena for our purposes. We measure self-focusing, filamentation, and the anomalous blueshift of the laser pulse. The ionization of gas with the self-focusing causes a broad continuous spectrum with blueshift. The normal blueshift depends on the laser intensity and the plasma density. We, however, have found different phenomenon. The laser spectrum shifts to fixed wavelength independent of the laser power and gas pressure above some critical power. We call the phenomenon 'anomalous blueshift'. The results are explained by the formation of filaments. An intense laser pulse can excite a laser wakefield in plasma. The coherent wakefield excited by 2 TW, 50 fs laser pulses in a gas-jet plasma around 10 sup 1 sup 8 cm sup - sup 3 is mea...

  11. High Excitation Density Effects in Plasmonic GaAs-AlGaAs-GaAs Core-Shell Nanowires

    Science.gov (United States)

    Kaveh-Baghbadorani, Masoud; Gao, Qiang; Jagadish, Chennupati; Wagner, Hans-Peter

    We investigate the near-band emission of highly exited hybrid plasmonic GaAs-AlGaAs-GaAs core-shell nanowire (NW) heterostructures using time integrated (TI) photoluminescence (PL) measurements. The plasmonic structures are composed of 130 nm diameter zincblende NWs, either as bare NWs lying on an Au coated glass substrate or as Au coated NWs lying on a bare glass substrate. Intensity-dependent PL measurements on bare and plasmonic NW samples at high excitation densities reveal electron-hole-plasma (EHP) recombination. The EHP band shows a super-linear increase with increasing excitation intensity suggesting amplified spontaneous emission (ASE) at a threshold power density of around 60 microJ/cm2. Plasmonic NW samples excited above the threshold fluence reveal a weakly resolved sub-structure within the broad EHP band. The emerging sub-bands have a bandwidth which is by a factor of around 3 smaller than the width of the EHP background and are tentatively attributed to plasmonic lasing modes. This interpretation is supported by the fact that photonic lasing from 130 nm diameter thin uncoated GaAs NWs is theoretically not possible and that no sub-structure in the EHP band has been observed on bare nanowires.

  12. Multi-point scanning two-photon excitation microscopy by utilizing a high-peak-power 1042-nm laser.

    Science.gov (United States)

    Otomo, Kohei; Hibi, Terumasa; Murata, Takashi; Watanabe, Hirotaka; Kawakami, Ryosuke; Nakayama, Hiroshi; Hasebe, Mitsuyasu; Nemoto, Tomomi

    2015-01-01

    The temporal resolution of a two-photon excitation laser scanning microscopy (TPLSM) system is limited by the excitation laser beam's scanning speed. To improve the temporal resolution, the TPLSM system is equipped with a spinning-disk confocal scanning unit. However, the insufficient energy of a conventional Ti:sapphire laser source restricts the field of view (FOV) for TPLSM images to a narrow region. Therefore, we introduced a high-peak-power Yb-based laser in order to enlarge the FOV. This system provided three-dimensional imaging of a sufficiently deep and wide region of fixed mouse brain slices, clear four-dimensional imaging of actin dynamics in live mammalian cells and microtubule dynamics during mitosis and cytokinesis in live plant cells.

  13. High-resolution resonant inelastic extreme ultraviolet scattering from orbital and spin excitations in a Heisenberg antiferromagnet

    Science.gov (United States)

    Caretta, Antonio; Dell'Angela, Martina; Chuang, Yi-De; Kalashnikova, Alexandra M.; Pisarev, Roman V.; Bossini, Davide; Hieke, Florian; Wurth, Wilfried; Casarin, Barbara; Ciprian, Roberta; Parmigiani, Fulvio; Wexler, Surge; Wray, L. Andrew; Malvestuto, Marco

    2017-11-01

    We report a high-resolution resonant inelastic extreme ultraviolet (EUV) scattering study of the quantum Heisenberg antiferromagnet KCoF3. By tuning the EUV photon energy to the cobalt M23 edge, a complete set of low-energy 3 d spin-orbital excitations is revealed. These low-lying electronic excitations are modeled using an extended multiplet-based mean-field calculation to identify the roles of lattice and magnetic degrees of freedom in modifying the resonant inelastic x-ray scattering (RIXS) spectral line shape. We have demonstrated that the temperature dependence of RIXS features upon the antiferromagnetic ordering transition enables us to probe the energetics of short-range spin correlations in this material.

  14. High hydrostatic pressure extraction of phenolic compounds from ...

    African Journals Online (AJOL)

    Ergin Murat ALTUNER

    2012-01-12

    , Niğde, Turkey. 3Food Engineering Department, Middle East Technical University, TR-06800, Ankara, Turkey. Accepted 7 December, 2011. High hydrostatic pressure processing (HHPP) is a food processing method, in which ...

  15. The luminescence of BaF{sub 2} nanoparticles upon high-energy excitation

    Energy Technology Data Exchange (ETDEWEB)

    Vistovskyy, V. V., E-mail: visvv@gmail.com; Zhyshkovych, A. V.; Halyatkin, O. O.; Voloshinovskii, A. S. [Ivan Franko National University of Lviv, 8a Kyryla i Mefodiya St., 79005 Lviv (Ukraine); Mitina, N. E.; Zaichenko, A. S. [Lviv Polytechnic National University, 12 S. Bandera St., 79013 Lviv (Ukraine); Rodnyi, P. A. [Saint-Petersburg State Polytechnical University, 29, Polytekhnicheskaya, 195251 Saint-Petersburg (Russian Federation); Vasil' ev, A. N. [Skobeltsyn Institute of Nuclear Physics, Lomonosov Moscow State University, 119991 Moscow (Russian Federation); Gektin, A. V. [Institute for Scintillation Materials, NAS of Ukraine, 60 Lenina Ave, 61001 Kharkiv (Ukraine)

    2014-08-07

    The dependence of X-ray excited luminescence intensity on BaF{sub 2} nanoparticle size was studied. A sharp decrease of self-trapped exciton luminescence intensity was observed when the nanoparticle size is less than 80 nm. The main mechanism of the luminescence quenching is caused by the escape of electrons from the nanoparticles. Escape of electrons from nanoparticles is confirmed by the considerable increase of luminescence intensity of the polystyrene scintillator with embedded BaF{sub 2} nanoparticles comparing with pure polystyrene scintillator.

  16. Wave Packet Simulation of Nonadiabatic Dynamics in Highly Excited 1,3-Dibromopropane

    DEFF Research Database (Denmark)

    Brogaard, Rasmus Y.; Møller, Klaus Braagaard; Sølling, Theis Ivan

    2008-01-01

    We have conducted wave packet simulations of excited-state dynamics of 1,3-dibromopropane (DBP) with the aim of reproducing the experimental results of the gas-phase pump-probe experiment by Kotting et al. [Kotting. C.; Diau, E. W.-G.; Solling, T. L. Zewail, A. H. J. Phys. Chem. A 2001106, 7530...... of the carbon bromine bonds oil a time scale of 2.5 ps. Building the theoretical framework for the wave packet propagation around this model of the reaction dynamics, the Simulations reproduce, to a good extent, the time scales observed in the experiment. Furthermore. the Simulations provide insight into how...

  17. Monte Carlo calculation of collisions of directionally-incident electrons on highly excited hydrogen atoms

    Energy Technology Data Exchange (ETDEWEB)

    Kawakami, Kazuki; Fujimoto, Takasi [Kyoto Univ., Graduate School of Engineering, Kyoto (Japan)

    2001-10-01

    We treat classically the n-, l- and m{sub r}-changing transitions and ionization. Excitation cross sections against the final state energy continue smoothly to the 'ionization cross sections'. The steady state populations determined by elastic collisions among the degenerate states in the same n level show higher populations in the m{sub 1}=0 states, suggesting positive polarizations of Lyman lines emitted from plasmas having directional electrons. For ionization, the two outgoing electrons have large relative angles, suggesting reduced three body recombination rates for these plasmas. (author)

  18. a Semi-Classical Approach to the Calculation of Highly Excited Rotational Energies for Asymmetric-Top Molecules

    Science.gov (United States)

    Schmiedt, Hanno; Schlemmer, Stephan; Yurchenko, Sergei N.; Yachmenev, Andrey; Jensen, Per

    2017-06-01

    We report a new semi-classical method to compute highly excited rotational energy levels of an asymmetric-top molecule. The method forgoes the idea of a full quantum mechanical treatment of the ro-vibrational motion of the molecule. Instead, it employs a semi-classical Green's function approach to describe the rotational motion, while retaining a quantum mechanical description of the vibrations. Similar approaches have existed for some time, but the method proposed here has two novel features. First, inspired by the path integral method, periodic orbits in the phase space and tunneling paths are naturally obtained by means of molecular symmetry analysis. Second, the rigorous variational method is employed for the first time to describe the molecular vibrations. In addition, we present a new robust approach to generating rotational energy surfaces for vibrationally excited states; this is done in a fully quantum-mechanical, variational manner. The semi-classical approach of the present work is applied to calculating the energies of very highly excited rotational states and it reduces dramatically the computing time as well as the storage and memory requirements when compared to the fully quantum-mechanical variational approach. Test calculations for excited states of SO_2 yield semi-classical energies in very good agreement with the available experimental data and the results of fully quantum-mechanical calculations. We hope to be able to present at the meeting also semi-classical calculations of transition intensities. See also the open-access paper Phys. Chem. Chem. Phys. 19, 1847-1856 (2017). DOI: 10.1039/C6CP05589C

  19. Water in star-forming regions with Herschel: highly excited molecular emission from the NGC 1333 IRAS 4B outflow

    Science.gov (United States)

    Herczeg, G. J.; Karska, A.; Bruderer, S.; Kristensen, L. E.; van Dishoeck, E. F.; Jørgensen, J. K.; Visser, R.; Wampfler, S. F.; Bergin, E. A.; Yıldız, U. A.; Pontoppidan, K. M.; Gracia-Carpio, J.

    2012-04-01

    During the embedded phase of pre-main sequence stellar evolution, a disk forms from the dense envelope while an accretion-driven outflow carves out a cavity within the envelope. Highly excited (E' = 1000 - 3000 K) H2O emission in spatially unresolved Spitzer/IRS spectra of a low-mass Class 0 object, NGC 1333 IRAS 4B, has previously been attributed to the envelope-disk accretion shock. However, the highly excited H2O emission could instead be produced in an outflow. As part of the survey of low-mass sources in the Water in Star Forming Regions with Herschel (WISH-LM) program, we used Herschel/PACS to obtain a far-IR spectrum and several Nyquist-sampled spectral images to determine the origin of excited H2O emission from NGC 1333 IRAS 4B. The spectrum has high signal-to-noise in a rich forest of H2O, CO, and OH lines, providing a near-complete census of far-IR molecular emission from a Class 0 protostar. The excitation diagrams for the three molecules all require fits with two excitation temperatures. The highly excited component of H2O emission is characterized by subthermal excitation of ~1500 K gas with a density of ~3 × 106 cm-3, conditions that also reproduce the mid-IR H2O emission detected by Spitzer. On the other hand, a high density, low temperature gas can reproduce the H2O spectrum observed by Spitzer but underpredicts the H2O lines seen by Herschel. Nyquist-sampled spectral maps of several lines show two spatial components of H2O emission, one centered at ~5'' (1200 AU) south of the central source at the position of the blueshifted outflow lobe and a heavily extincted component centered on-source. The redshifted outflow lobe is likely completely obscured, even in the far-IR, by the optically thick envelope. Both spatial components of the far-IR H2O emission are consistent with emission from the outflow. In the blueshifted outflow lobe over 90% of the gas-phase O is molecular, with H2O twice as abundant than CO and 10 times more abundant than OH. The gas

  20. High hydrostatic pressure extraction of phenolic compounds from ...

    African Journals Online (AJOL)

    High hydrostatic pressure processing (HHPP) is a food processing method, in which food is subjected to the elevated pressure which is mostly between 100 to 800 MPa. HHPP is seen not only in food engineering, but also have other application areas, such as extraction of active ingredients from natural biomaterials.

  1. New Possibilities of Substance Identification Based on THz Time Domain Spectroscopy Using a Cascade Mechanism of High Energy Level Excitation.

    Science.gov (United States)

    Trofimov, Vyacheslav A; Varentsova, Svetlana A; Zakharova, Irina G; Zagursky, Dmitry Yu

    2017-11-25

    Using an experiment with thin paper layers and computer simulation, we demonstrate the principal limitations of standard Time Domain Spectroscopy (TDS) based on using a broadband THz pulse for the detection and identification of a substance placed inside a disordered structure. We demonstrate the spectrum broadening of both transmitted and reflected pulses due to the cascade mechanism of the high energy level excitation considering, for example, a three-energy level medium. The pulse spectrum in the range of high frequencies remains undisturbed in the presence of a disordered structure. To avoid false absorption frequencies detection, we apply the spectral dynamics analysis method (SDA-method) together with certain integral correlation criteria (ICC).

  2. Ground and excited state properties of high performance anthocyanidin dyes-sensitized solar cells in the basic solutions

    Energy Technology Data Exchange (ETDEWEB)

    Prima, Eka Cahya [Advanced Functional Material Laboratory, Engineering Physics, Institut Teknologi Bandung (Indonesia); Computational Material Design and Quantum Engineering Laboratory, Engineering Physics, Institut Teknologi Bandung (Indonesia); International Program on Science Education, Universitas Pendidikan Indonesia (Indonesia); Yuliarto, Brian; Suyatman, E-mail: yatman@tf.itb.ac.id [Advanced Functional Material Laboratory, Engineering Physics, Institut Teknologi Bandung (Indonesia); Dipojono, Hermawan Kresno [Computational Material Design and Quantum Engineering Laboratory, Engineering Physics, Institut Teknologi Bandung (Indonesia)

    2015-09-30

    The aglycones of anthocyanidin dyes were previously reported to form carbinol pseudobase, cis-chalcone, and trans-chalcone due to the basic levels. The further investigations of ground and excited state properties of the dyes were characterized using density functional theory with PCM(UFF)/B3LYP/6-31+G(d,p) level in the basic solutions. However, to the best of our knowledge, the theoretical investigation of their potential photosensitizers has never been reported before. In this paper, the theoretical photovoltaic properties sensitized by dyes have been successfully investigated including the electron injections, the ground and excited state oxidation potentials, the estimated open circuit voltages, and the light harvesting efficiencies. The results prove that the electronic properties represented by dyes’ LUMO-HOMO levels will affect to the photovoltaic performances. Cis-chalcone dye is the best anthocyanidin aglycone dye with the electron injection spontaneity of −1.208 eV, the theoretical open circuit voltage of 1.781 V, and light harvesting efficiency of 56.55% due to the best HOMO-LUMO levels. Moreover, the ethanol solvent slightly contributes to the better cell performance than the water solvent dye because of the better oxidation potential stabilization in the ground state as well as in the excited state. These results are in good agreement with the known experimental report that the aglycones of anthocyanidin dyes in basic solvent are the high potential photosensitizers for dye-sensitized solar cell.

  3. Precision measurements and test of molecular theory in highly-excited vibrational states of H$_2$ $(v=11)$

    CERN Document Server

    Trivikram, T Madhu; Wcisło, P; Ubachs, W; Salumbides, E J

    2016-01-01

    Accurate $EF{}^1\\Sigma^+_g-X{}^1\\Sigma^+_g$ transition energies in molecular hydrogen were determined for transitions originating from levels with highly-excited vibrational quantum number, $v=11$, in the ground electronic state. Doppler-free two-photon spectroscopy was applied on vibrationally excited H$_2^*$, produced via the photodissociation of H$_2$S, yielding transition frequencies with accuracies of $45$ MHz or $0.0015$ cm$^{-1}$. An important improvement is the enhanced detection efficiency by resonant excitation to autoionizing $7p\\pi$ electronic Rydberg states, resulting in narrow transitions due to reduced ac-Stark effects. Using known $EF$ level energies, the level energies of $X(v=11, J=1,3-5)$ states are derived with accuracies of typically 0.002 cm$^{-1}$. These experimental values are in excellent agreement with, and are more accurate than the results obtained from the most advanced ab initio molecular theory calculations including relativistic and QED contributions.

  4. Probabilistic analysis for the response of nonlinear base isolation system under the ground excitation induced by high dam flood discharge

    Science.gov (United States)

    Liang, Chao; Zhang, Jinliang; Lian, Jijian; Liu, Fang; Li, Xinyao

    2017-10-01

    According to theoretical analysis, a general characteristic of the ground vibration induced by high dam flood discharge is that the dominant frequency ranges over several narrow frequency bands, which is verified by observations from the Xiangjiaba Hydropower Station. Nonlinear base isolation is used to reduce the structure vibration under ground excitation and the advantage of the isolation application is that the low-frequency resonance problem does not need to be considered due to its excitation characteristics, which significantly facilitate the isolation design. In order to obtain the response probabilistic distribution of a nonlinear system, the state space split technique is modified. As only a few degrees of freedom are subjected to the random noise, the probabilistic distribution of the response without involving stochastic excitation is represented by the δ function. Then, the sampling property of the δ function is employed to reduce the dimension of the Fokker-Planck- Kolmogorov (FPK) equation and the low-dimensional FPK equation is solvable with existing methods. Numerical results indicate that the proposed approach is effective and accurate. Moreover, the response probabilistic distributions are more reasonable and scientific than the peak responses calculated by conventional time and frequency domain methods.

  5. Decay out of the yrast and excited highly-deformed bands in the even-even nucleus {sup 134}Nd

    Energy Technology Data Exchange (ETDEWEB)

    Petrache, C.M.; Bazzacco, D.; Lunardi, S. [Sezione di Padova (Italy)] [and others

    1996-12-31

    The resolving power achieved by the new generation of {gamma}-ray detector arrays allows now to observe transitions with intensities of the order of {approximately}10{sup {minus}3} of the population of the final residual nucleus, making therefore feasible the study of the very weakly populated excited bands built on the superdeformed (SD) minimum or of the decay out of the SD bands. As a matter of fact, numerous excited SD bands have been observed in the different regions of superdeformation, which led to a deeper understanding of the single-particle excitation in the second minimum. The first experimental breakthrough in the study of the decay out process has been achieved in the odd-even {sup 133,135}Nd nuclei of the A=130 mass region. There, the observation of the discrete linking transitions has been favored by the relatively higher intensity of the highly-deformed (HD) bands ({approximately}10%), as well as by the small excitation energy with respect to the yrast line in the decay-out region ({approximately}1 MeV). No discrete linking transitions have been so far observed in the A=80, 150 mass regions. The present results suggest that the decay out of the HD bands in {sup 134}Nd is triggered by the crossing with the N=4 [402]5/2{sup +} Nilsson orbital, that has a smaller deformation than the corresponding N=6 intruder configuration. The crossing favours the mixing with the ND rotational bands strongly enhancing the decay-out process and weakening the in-band transition strength. The HD band becomes fragmented and looses part of its character. The intensity of the decay-out transitions increases when the spin of the HD state decreases, indicating enhanced ND amplitude in the wavefunction when going down the band. Lifetime measurements of the HD bands are crucial to further elucidate the decay-out process.

  6. High-multipole excitations of hydrogen-like atoms by twisted photons near a phase singularity

    Science.gov (United States)

    Afanasev, Andrei; Carlson, Carl E.; Mukherjee, Asmita

    2016-07-01

    We calculate transition amplitudes and cross sections for excitation of hydrogen-like atoms by the twisted photon states, or photon states with angular momentum projection on the direction of propagation exceeding ℏ. If the target atom is located at distances of the order of atomic size near the phase singularity in the vortex center, the transition rates into the states with orbital angular momentum {l}f\\gt 1 become comparable with the rates for electric dipole transitions. It is shown that when the transition rates are normalized to the local photon flux, the resulting cross sections for {l}f\\gt 1 are singular near the optical vortex center. The relation to the ‘quantum core’ concept introduced by Berry and Dennis is discussed.

  7. Electronic excitation effects in ion-irradiated high-T{sub c} superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Ishikawa, N.; Chimi, Y.; Iwase, A. [Japan Atomic Energy Res. Inst., Tokai, Ibaraki (Japan). Adv. Sci. Res. Center; Maeta, H. [Department of Materials Science and Engineering, Japan Atomic Energy Research Institute, Tokai-mura, Ibaraki-ken 319-11 (Japan); Tsuru, K. [Device Physics Research Laboratory, NTT Basic Research Laboratories, Tokai-mura, Ibaraki-ken 319-11 (Japan); Michikami, O. [Faculty of Engineering, Iwate University, Morioka-shi, Iwate-ken 020 (Japan); Kambara, T.; Awaya, Y. [Atomic Physics Laboratory, The Institute of Physical and Chemical Research (RIKEN), Wako-shi, Saitama-ken 351-01 (Japan); Mitamura, T.; Terasawa, M. [Faculty of Engineering, Himeji Institute of Technology, Himeji-shi, Hyogo-ken 671-22 (Japan)

    1998-02-01

    We have measured the fluence dependence of the c-axis lattice parameter in EuBa{sub 2}Cu{sub 3}O{sub y} (EBCO) irradiated with various ions from He to Au over the wide energy range from 0.85 MeV to 3.80 GeV. We have observed a linear increase of the c-axis lattice parameter with increasing fluence for all irradiations. The slope of c-axis lattice parameter against fluence, which corresponds to the defect production rate, is separated into two contributions; the effect via elastic displacement and the effect via electronic excitation. The former contribution exhibits a linear increase against the nuclear stopping power, S{sub n}. The latter contribution is scaled by the primary ionization rate, dJ/dx, rather than by the electronic stopping power, S{sub e}, and is nearly proportional to (dJ/dx){sup 4}. (orig.) 18 refs.

  8. Time-resolved studies on the photoisomerization of a phenylene-silylene-vinylene type compound in its first singlet excited state

    Energy Technology Data Exchange (ETDEWEB)

    Burdzinski, G. [Faculty of Physics, Adam Mickiewicz University, Poznan (Poland); Bayda, M. [Faculty of Chemistry, Adam Mickiewicz University, Poznan (Poland); Hug, G.L. [Faculty of Chemistry, Adam Mickiewicz University, Poznan (Poland); Radiation Laboratory, University of Notre Dame, Notre Dame, IN (United States); Majchrzak, M.; Marciniec, B.; Marciniak, B. [Faculty of Chemistry, Adam Mickiewicz University, Poznan (Poland)

    2011-04-15

    In femtosecond laser-flash photolysis experiments, the first singlet excited state of trans-ST, ((E,E)-{l_brace}1,4-bis(2-dimethylphenylsilyl)ethenyl{r_brace}benzene) showed a strong S1({pi},{pi}{sup *})-Sn absorption band at 540 nm in acetonitrile and at 550 nm in hexane. The lifetime of this state was determined to be 13.2{+-}2.0 and 11.1{+-}1.5 ps, respectively. Intersystem crossing was shown not to be a principal route for the deactivation of this S1 state of trans-ST. Evidence for this conclusion involved two complementary nanosecond laser-flash photolysis experiments. In one experiment involving direct excitation, no transient absorption spectrum was detected in the 350-650 nm spectral range. Yet, in the second experiment, on triplet sensitization, using xanthone, a transient absorption at 400 nm was tentatively assigned to the triplet state absorption of trans-ST. Photoisomerization was monitored in nanosecond time-resolved bleaching experiments. From these experiments the trans-cis photoisomerization quantum yield was determined to be 0.23 on direct trans-ST excitation. In a xanthone-sensitized stationary-state excitation experiment, the trans-cis isomerization quantum yield was determined to be 0.32. The main deactivation route of trans-ST in its S1 state is repopulation of the ground state directly through internal conversion or with the intermediacy of conformers with twisted geometry.

  9. Monitoring of HTS compound library quality via a high-resolution image acquisition and processing instrument.

    Science.gov (United States)

    Baillargeon, Pierre; Scampavia, Louis; Einsteder, Ross; Hodder, Peter

    2011-06-01

    This report presents the high-resolution image acquisition and processing instrument for compound management applications (HIAPI-CM). The HIAPI-CM combines imaging spectroscopy and machine-vision analysis to perform rapid assessment of high-throughput screening (HTS) compound library quality. It has been customized to detect and classify typical artifacts found in HTS compound library microtiter plates (MTPs). These artifacts include (1) insufficient volume of liquid compound sample, (2) compound precipitation, and (3) colored compounds that interfere with HTS assay detection format readout. The HIAPI-CM is also configured to automatically query and compare its analysis results to data stored in a LIMS or corporate database, aiding in the detection of compound registration errors. To demonstrate its capabilities, several compound plates (n=5760 wells total) containing different artifacts were measured via automated HIAPI-CM analysis, and results compared with those obtained by manual (visual) inspection. In all cases, the instrument demonstrated high fidelity (99.8% empty wells; 100.1% filled wells; 94.4% for partially filled wells; 94.0% for wells containing colored compounds), and in the case of precipitate detection, the HIAPI-CM results significantly exceeded the fidelity of visual observations (220.0%). As described, the HIAPI-CM allows for noninvasive, nondestructive MTP assessment with a diagnostic throughput of about 1min per plate, reducing analytical expenses and improving the quality and stewardship of HTS compound libraries. Copyright © 2011 Society for Laboratory Automation and Screening. Published by Elsevier Inc. All rights reserved.

  10. High-sensitivity detection of cardiac troponin I with UV LED excitation for use in point-of-care immunoassay.

    Science.gov (United States)

    Rodenko, Olga; Eriksson, Susann; Tidemand-Lichtenberg, Peter; Troldborg, Carl Peder; Fodgaard, Henrik; van Os, Sylvana; Pedersen, Christian

    2017-08-01

    High-sensitivity cardiac troponin assay development enables determination of biological variation in healthy populations, more accurate interpretation of clinical results and points towards earlier diagnosis and rule-out of acute myocardial infarction. In this paper, we report on preliminary tests of an immunoassay analyzer employing an optimized LED excitation to measure on a standard troponin I and a novel research high-sensitivity troponin I assay. The limit of detection is improved by factor of 5 for standard troponin I and by factor of 3 for a research high-sensitivity troponin I assay, compared to the flash lamp excitation. The obtained limit of detection was 0.22 ng/L measured on plasma with the research high-sensitivity troponin I assay and 1.9 ng/L measured on tris-saline-azide buffer containing bovine serum albumin with the standard troponin I assay. We discuss the optimization of time-resolved detection of lanthanide fluorescence based on the time constants of the system and analyze the background and noise sources in a heterogeneous fluoroimmunoassay. We determine the limiting factors and their impact on the measurement performance. The suggested model can be generally applied to fluoroimmunoassays employing the dry-cup concept.

  11. Complexation of DNA with ruthenium organometallic compounds: the high complexation ratio limit.

    Science.gov (United States)

    Despax, Stéphane; Jia, Fuchao; Pfeffer, Michel; Hébraud, Pascal

    2014-06-14

    Interactions between DNA and ruthenium organometallic compounds are studied by using visible light absorption and circular dichroism measurements. A titration technique allowing for the absolute determination of the advancement degree of the complexation, without any assumption about the number of complexation modes is developed. When DNA is in excess, complexation involves intercalation of one of the organometallic compound ligands between DNA base pairs. But, in the high complexation ratio limit, where organometallic compounds are in excess relative to the DNA base pairs, a new mode of interaction is observed, in which the organometallic compound interacts weakly with DNA. The weak interaction mode, moreover, develops when all the DNA intercalation sites are occupied. A regime is reached in which one DNA base pair is linked to more than one organometallic compound.

  12. Design and construction of prototype transversely excited atmospheric (TEA nitrogen laser energized by a high voltage electrical discharge

    Directory of Open Access Journals (Sweden)

    Mukhtar Hussain

    2015-07-01

    Full Text Available The present study reports design and construction, of a prototype of Transversely Excited Atmospheric (TEA nitrogen laser, and a high voltage power supply to excite N2 gas in air, while air is used as an active lasing medium. A Blumlein line discharge circuit is used for operation of this laser. The high voltage is generated by a fly back transformer based power supply varying from 10 kV to 20 kV. The wavelength (337.1 nm of TEA nitrogen laser is measured employing a standard commercial spectrometer and the laser output energy of 300 μJ is measured from the constructed system. Different parameters such as beam profile, laser output spectrum, laser efficiency, and variation of E/P (Electrical field/Pressure value with respect to input voltage and electrodes separations are studied in order to optimize the overall operational efficiency of present nitrogen laser. The analysis of the high voltage prototype appeared in this designed source has also been made and described in this paper.

  13. Oscillator strengths for high-excitation Ti II from laboratory measurements and calculations

    Science.gov (United States)

    Lundberg, H.; Hartman, H.; Engström, L.; Nilsson, H.; Persson, A.; Palmeri, P.; Quinet, P.; Fivet, V.; Malcheva, G.; Blagoev, K.

    2016-07-01

    This work reports new experimental radiative lifetimes of six 3d2(3F)5s levels in singly ionized titanium, with an energy around 63 000 cm-1 and four 3d2(3F)4p odd parity levels where we confirm previous investigations. Combining the new 5s lifetimes with branching fractions measured previously by Pickering et al., we report 57 experimental log gf values for transitions from the 5s levels. The lifetime measurements are performed using time-resolved laser-induced fluorescence on ions produced by laser ablation. One- and two-step photon excitation is employed to reach the 4p and 5s levels, respectively. Theoretical calculations of the radiative lifetimes of the measured levels as well as of oscillator strengths for 3336 transitions from these levels are reported. The calculations are carried out by a pseudo-relativistic Hartree-Fock method taking into account core-polarization effects. The theoretical results are in a good agreement with the experiments and are needed for accurate abundance determinations in astronomical objects.

  14. Balanced excitation and inhibition are required for high-capacity, noise-robust neuronal selectivity.

    Science.gov (United States)

    Rubin, Ran; Abbott, L F; Sompolinsky, Haim

    2017-10-17

    Neurons and networks in the cerebral cortex must operate reliably despite multiple sources of noise. To evaluate the impact of both input and output noise, we determine the robustness of single-neuron stimulus selective responses, as well as the robustness of attractor states of networks of neurons performing memory tasks. We find that robustness to output noise requires synaptic connections to be in a balanced regime in which excitation and inhibition are strong and largely cancel each other. We evaluate the conditions required for this regime to exist and determine the properties of networks operating within it. A plausible synaptic plasticity rule for learning that balances weight configurations is presented. Our theory predicts an optimal ratio of the number of excitatory and inhibitory synapses for maximizing the encoding capacity of balanced networks for given statistics of afferent activations. Previous work has shown that balanced networks amplify spatiotemporal variability and account for observed asynchronous irregular states. Here we present a distinct type of balanced network that amplifies small changes in the impinging signals and emerges automatically from learning to perform neuronal and network functions robustly. Published under the PNAS license.

  15. High-Resolution Spectroscopy of Jet-Cooled 1,1 '-Diphenylethylene: Electronically Excited and Ionic States of a Prototypical Cross-Conjugated System

    NARCIS (Netherlands)

    Smolarek, S.; Vdovin, A.; Rijs, A.; van Walree, C. A.; Zgierski, M. Z.; Buma, W. J.

    2011-01-01

    The photophysics of a prototypical cross-conjugated pi-system, 1,1'-diphenylethylene, have been studied using high-resolution resonance enhanced multiphoton ionization excitation spectroscopy and zero kinetic energy photoelectron spectroscopy, in combination with advanced ab initio

  16. Ion implantation in compound semiconductors for high-performance electronic devices

    Energy Technology Data Exchange (ETDEWEB)

    Zolper, J.C.; Baca, A.G.; Sherwin, M.E.; Klem, J.F.

    1996-05-01

    Advanced electronic devices based on compound semiconductors often make use of selective area ion implantation doping or isolation. The implantation processing becomes more complex as the device dimensions are reduced and more complex material systems are employed. The authors review several applications of ion implantation to high performance junction field effect transistors (JFETs) and heterostructure field effect transistors (HFETs) that are based on compound semiconductors, including: GaAs, AlGaAs, InGaP, and AlGaSb.

  17. Narrow alpha+ sup 2 sup 8 Si elastic-scattering states at high excitation in sup 3 sup 2 S

    CERN Document Server

    Kaellman, K M; Lönnroth, T; Manngaard, P; Goldberg, V Z; Pakhomov, A E; Pankratov, V V

    2003-01-01

    The excitation function and angular distributions of elastic alpha-particle scattering on sup 2 sup 8 Si have been measured in the laboratory energy range 6-28 MeV using a backscattering technique on a thick target, yielding a continuous energy distribution. More than 200 narrow states are observed, with widths in the range propor to 30-100 keV at excitation energies E sup * =13-32 MeV. Angular distributions at backward angles were measured, and angular momentum values of more than 83 states have been deduced. The analysis gives spin-parities J suppi, alpha-partial widths GAMMA subalpha and reduced widths of the narrow high-lying resonant states in sup 3 sup 2 S. The experimentally observed states display both the negative- and the positive-parity rotational-like sequences with seemingly no parity splitting, a finding which is at variance with most potential-model predictions. The deduced effective moment of inertia indicates a more extended structure than the ground-state configuration. The observed strength...

  18. Activity in vivo of anti-Trypanosoma cruzi compounds selected from a high throughput screening.

    Science.gov (United States)

    Andriani, Grasiella; Chessler, Anne-Danielle C; Courtemanche, Gilles; Burleigh, Barbara A; Rodriguez, Ana

    2011-08-01

    Novel technologies that include recombinant pathogens and rapid detection methods are contributing to the development of drugs for neglected diseases. Recently, the results from the first high throughput screening (HTS) to test compounds for activity against Trypanosoma cruzi trypomastigote infection of host cells were reported. We have selected 23 compounds from the hits of this HTS, which were reported to have high anti-trypanosomal activity and low toxicity to host cells. These compounds were highly purified and their structures confirmed by HPLC/mass spectrometry. The compounds were tested in vitro, where about half of them confirmed the anti-T. cruzi activity reported in the HTS, with IC50 values lower than 5 µM. We have also adapted a rapid assay to test anti-T. cruzi compounds in vivo using mice infected with transgenic T. cruzi expressing luciferase as a model for acute infection. The compounds that were active in vitro were also tested in vivo using this assay, where we found two related compounds with a similar structure and low in vitro IC50 values (0.11 and 0.07 µM) that reduce T. cruzi infection in the mouse model more than 90% after five days of treatment. Our findings evidence the benefits of novel technologies, such as HTS, for the drug discovery pathway of neglected diseases, but also caution about the need to confirm the results in vitro. We also show how rapid methods of in vivo screening based in luciferase-expressing parasites can be very useful to prioritize compounds early in the chain of development.

  19. Activity in vivo of anti-Trypanosoma cruzi compounds selected from a high throughput screening.

    Directory of Open Access Journals (Sweden)

    Grasiella Andriani

    2011-08-01

    Full Text Available Novel technologies that include recombinant pathogens and rapid detection methods are contributing to the development of drugs for neglected diseases. Recently, the results from the first high throughput screening (HTS to test compounds for activity against Trypanosoma cruzi trypomastigote infection of host cells were reported. We have selected 23 compounds from the hits of this HTS, which were reported to have high anti-trypanosomal activity and low toxicity to host cells. These compounds were highly purified and their structures confirmed by HPLC/mass spectrometry. The compounds were tested in vitro, where about half of them confirmed the anti-T. cruzi activity reported in the HTS, with IC50 values lower than 5 µM. We have also adapted a rapid assay to test anti-T. cruzi compounds in vivo using mice infected with transgenic T. cruzi expressing luciferase as a model for acute infection. The compounds that were active in vitro were also tested in vivo using this assay, where we found two related compounds with a similar structure and low in vitro IC50 values (0.11 and 0.07 µM that reduce T. cruzi infection in the mouse model more than 90% after five days of treatment. Our findings evidence the benefits of novel technologies, such as HTS, for the drug discovery pathway of neglected diseases, but also caution about the need to confirm the results in vitro. We also show how rapid methods of in vivo screening based in luciferase-expressing parasites can be very useful to prioritize compounds early in the chain of development.

  20. Development and characterization of diamond film and compound metal surface high current photocathodes

    Energy Technology Data Exchange (ETDEWEB)

    Shurter, R.P.; Moir, D.C.; Devlin, D.J.; Springer, R.W.; Archuleta, T.A.

    1997-09-01

    High current photocathodes operating in vacuum environments as high as 8xE-5 torr are being developed at Los Alamos for use in a new generation of linear induction accelerators. We report quantum efficiencies in wide bandgap semiconductors, pure metals, and compound metal surfaces photocathode materials illuminated by ultraviolet laser radiation.

  1. Exciting story of the high-end television projection systems and the novel compact EIDOPHOR AE-12

    Science.gov (United States)

    Schulz-Hennig, Joerg F.

    1998-04-01

    With the new light valve technologies and availability of international broad-band communication channels high-end large screen TV projection is a highly growing contribution to the multi-media world of today. The exciting story already started 58 years ago with the invention of the EIDOPHOR diffractive oil light modulator. The long way to turn electronic cinema into a reality triggered novel applications, e.g. teleconferencing and real time surgery transmissions at universities. Several technical approaches of spatial light modulation were tried, and finally several different solutions are feasible to provide video projectors, meeting the requirements of the different display applications of today and tomorrow. The technical history is reviewed and the limitations and feasibilities of new technologies are presented in respect to existing and new applications.

  2. High anthropogenic volatile organic compounds over a high altitude Himalayan station in eastern India

    Science.gov (United States)

    Sarkar, Chirantan; Chatterjee, Abhijit; Ghosh, Sanjay; Raha, Sibaji; Majumdar, Dipanjali; Srivastava, Anjali

    A first ever study on the characterization of anthropogenic volatile organic compounds has been made over eastern part of Himalaya in India. Measurements were carried out for a year-long period (2010- 2011) over Darjeeling (27.01 (°) N, 88.15 (°) E), a high altitude (2200 a msl) station over eastern Himalaya. A total of 96 samples were collected separately for day (6 A.M - 6 P.M.) and night time (6 P.M. - 6 A.M.) and anlysed for 20 VOCs using GC-MS. The annual average concentration of total anthropogenic VOC was 871 muµgm-3. VOC shows a distinct seasonal variation with the maximum concentration of 3254 muµgm-3 during postmonsoon (October-November) followed by 120 muµgm-3 during monsoon (June-September), 72 muµgm-3 during winter (December-February) and minimum concentration of 39 muµgm-3 during premonsoon (March-May). Styrene was found to be the most abundant VOC followed by benzene, toluene, ethyl benzene, xylene (BTEX) and chloroform. Styrene alone contributed 50 % to the total VOC whereas BTEX contributed 47 %. Styrene was found to be much higher in concentration compared to other high altitude stations and metro-cities in India. Earlier, biomass burning during night-time was used to be a common practice over Darjeeling like any other hill stations, but now-a-days, burning of plastics, tyres and other polystyrene products has become a common practice to get warmth against cold. This could significantly generate styrene in the atmosphere. Night time concentration was found to be higher than day time concentration for most of the VOCs through out the year. Higher solar radiation, high surface ozone and OH radical concentration could oxidise/destruct VOCs resulting to minimum concentration during premonsoon. Very high mixing layer depth and higher wind speed during premonsoon compared to other seasons favours ventilation and dispersion of VOCs from the sampling station. On the other hand, higher vehicular activities associated to high influx of tourists and

  3. Lifetime measurements using two-step laser excitation for high-lying even-parity levels and improved theoretical oscillator strengths in Y ii

    Science.gov (United States)

    Palmeri, P.; Quinet, P.; Lundberg, H.; Engström, L.; Nilsson, H.; Hartman, H.

    2017-10-01

    We report new time-resolved laser-induced fluorescence lifetime measurements for 22 highly excited even-parity levels in singly ionized yttrium (Y ii). To populate these levels belonging to the configurations 4d6s, 5s6s 4d5d, 5p2, 4d7s and 4d6d, a two-step laser excitation technique was used. Our previous pseudo-relativistic Hartree-Fock model (Biémont et al. 2011) was improved by extending the configuration interaction up to n = 10 to reproduce the new experimental lifetimes. A set of semi-empirical oscillator strengths extended to transitions falling in the spectral range λλ194-3995 nm, depopulating these 22 even-parity levels in Y ii, is presented and compared to the values found in the Kurucz's data base (Kurucz 2011).

  4. The FERRUM project: Experimental lifetimes and transition probabilities from highly excited even 4d levels in Fe ii

    Science.gov (United States)

    Hartman, H.; Nilsson, H.; Engström, L.; Lundberg, H.

    2015-12-01

    We report lifetime measurements of the 6 levels in the 3d6(5D)4d e6G term in Fe ii at an energy of 10.4 eV, and f-values for 14 transitions from the investigated levels. The lifetimes were measured using time-resolved laser-induced fluorescence on ions in a laser-produced plasma. The high excitation energy, and the fact that the levels have the same parity as the the low-lying states directly populated in the plasma, necessitated the use of a two-photon excitation scheme. The probability for this process is greatly enhanced by the presence of the 3d6(5D)4p z6F levels at roughly half the energy difference. The f-values are obtained by combining the experimental lifetimes with branching fractions derived using relative intensities from a hollow cathode discharge lamp recorded with a Fourier transform spectrometer. The data is important for benchmarking atomic calculations of astrophysically important quantities and useful for spectroscopy of hot stars.

  5. High-resolution excitation and absorption spectroscopy of gas-phase p-coumaric acid: unveiling an elusive chromophore.

    Science.gov (United States)

    Smolarek, Szymon; Vdovin, Alexander; Perrier, Dayinta L; Smit, Jorrit P; Drabbels, Marcel; Buma, Wybren J

    2010-05-12

    We report on the first successful high-resolution spectroscopic studies on isolated para-coumaric acid, the chromophore of the photoactive yellow protein which has become a model system for studying biological light-induced signal transduction. Employing various double-resonance multiphoton ionization techniques in combination with mass-resolved ion detection and the results of quantum chemical calculations, we identify three conformations the molecule can adopt under our experimental conditions. The vibrational activity in the excitation spectra allows us to conclude that in the Franck-Condon region accessed from the ground state S(1) is the V'(pipi*) state. Interestingly, we find considerable out-of-plane vibrational activity, indicating that the molecule adopts a nonplanar geometry in S(1). The ionization requirements show that after excitation rapid internal conversion takes place to a lower-lying npi* state. Such a state has been postulated by ab initio calculations on para-coumaric acid and derivatives, but until the present study no direct evidence had been found for its presence.

  6. Evidence for Different Reactive Hg Sources and Chemical Compounds at Adjacent Valley and High Elevation Locations.

    Science.gov (United States)

    Sexauer Gustin, Mae; Pierce, Ashley M; Huang, Jiaoyan; Miller, Matthieu B; Holmes, Heather A; Loria-Salazar, S Marcela

    2016-11-15

    The spatial distribution of chemical compounds and concentration of reactive mercury (RM), defined as the sum of gaseous oxidized mercury (GOM) and sources (GOM = nitrogen and sulfur-based compounds), and the high elevation site (GOM = halogen-based compounds) was affected by long-range transport in the free troposphere over the marine boundary layer into Nevada. Data collected at these two locations demonstrate that different GOM compounds exist depending on the oxidants present in the air. Measurements of GOM made by the KCl denuder in the Tekran instrument located at the low elevation site were lower than that measured using membranes by 1.7-13 times. Accurate measurements of atmospheric concentrations and chemistry of RM are necessary for proper assessment of environmental impacts, and field measurements are essential for atmospheric models, which in turn influence policy decisions.

  7. Ultralight electrospun cellulose sponge with super-high capacity on absorption of organic compounds.

    Science.gov (United States)

    Xu, Tao; Wang, Zhao; Ding, Yichun; Xu, Wenhui; Wu, Weidong; Zhu, Zhengtao; Fong, Hao

    2018-01-01

    Three-dimensional, cost-effective, and renewable/recyclable absorbent materials with high capacities on absorption of organic compounds are urgently in demand. Herein, a facile while innovative approach is reported to develop ultralight electrospun cellulose sponge (UECS). The prepared UECS exhibits super-high absorption capacity (up to 232 times of its own weight) towards absorption of organic compounds due to high porosity (99.57%), low density (6.45mg/cm3), and hydrophobic surface feature (with water contact angle of 141.2°). Furthermore, the UECS is mechanically robust thus can be readily cut into different shapes; and it also possesses excellent stability against various organic compounds. Intriguingly, upon absorption of an organic compound, the shape-stable UECS organic gel can be formed. Hence, the developed UECS would be promising as environmental friendly absorbent on high-performance separation of organic compounds from aqueous systems; while the UECS organic gel could be utilized for the applications such as drug delivery and sensor. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Electrophilic iodination: a gateway to high iodine compounds and energetic materials.

    Science.gov (United States)

    Chand, Deepak; He, Chunlin; Mitchell, Lauren A; Parrish, Damon A; Shreeve, Jean'ne M

    2016-09-21

    A large number of iodine atoms can be introduced into a single molecule in a one-pot reaction using trifluoroperacetic acid-mediated electrophilic iodination methodology. The scope of this reaction was investigated extensively using several pyrazole substrates which resulted in nine polyiodo pyrazole compounds with iodine content as high as 80%. This synthetic methodology was also utilized successfully for iodination of benzimidazoles. Tetraiodobenzimidazole was nitrated with 100% nitric acid to give a high yield of 4,5,6,7-tetranitro-1H-benzimidazol-2(3H)-one (14). All of these materials were fully characterized and compounds 5, 9, 10 and 14 were confirmed further with single crystal X-ray analysis. High density, positive oxygen balance, and very good impact sensitivity values characterize 14. For the first time, two 1,2,5-oxadiazole-N-oxide rings were introduced into a benzimidazole ring (11) which remarkably improves the stability of oxadiazole-N-oxide compounds.

  9. Excited State Localization and Internuclear Interactions in Asymmetric Ruthenium(II) and Osmium(II) bpy/tpy Based Dinuclear Compounds

    NARCIS (Netherlands)

    Halpin, Yvonne; Dini, Danilo; Ahmed, Hamid M. Younis; Cassidy, Lynda; Browne, Wesley R.; Vos, Johannes G.

    2010-01-01

    The synthesis of two asymmetric dinuclear complexes with the formula [M(bpy)(2)(bpt)Ru(tpy)Cl](2+), where M = Ru (1a), Os(2a); bpy = 2,2'-bipyridyl; Hbpt = 3,5-bis(pyridin-2-yl)1,2,4-triazole and tpy = 2,2',6',2 ''-terpyridine, is reported. The compounds obtained are characterized by mass

  10. Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Bo [William R. Wiley Environmental; Kowalski, Karol [William R. Wiley Environmental

    2017-08-11

    The representation and storage of two-electron integral tensors are vital in large- scale applications of accurate electronic structure methods. Low-rank representation and efficient storage strategy of integral tensors can significantly reduce the numerical overhead and consequently time-to-solution of these methods. In this paper, by combining pivoted incomplete Cholesky decomposition (CD) with a follow-up truncated singular vector decomposition (SVD), we develop a decomposition strategy to approximately represent the two-electron integral tensor in terms of low-rank vectors. A systematic benchmark test on a series of 1-D, 2-D, and 3-D carbon-hydrogen systems demonstrates high efficiency and scalability of the compound two-step decomposition of the two-electron integral tensor in our implementation. For the size of atomic basis set N_b ranging from ~ 100 up to ~ 2, 000, the observed numerical scaling of our implementation shows O(N_b^{2.5~3}) versus O(N_b^{3~4}) of single CD in most of other implementations. More importantly, this decomposition strategy can significantly reduce the storage requirement of the atomic-orbital (AO) two-electron integral tensor from O(N_b^4) to O(N_b^2 log_{10}(N_b)) with moderate decomposition thresholds. The accuracy tests have been performed using ground- and excited-state formulations of coupled- cluster formalism employing single and double excitations (CCSD) on several bench- mark systems including the C_{60} molecule described by nearly 1,400 basis functions. The results show that the decomposition thresholds can be generally set to 10^{-4} to 10^{-3} to give acceptable compromise between efficiency and accuracy.

  11. Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations.

    Science.gov (United States)

    Peng, Bo; Kowalski, Karol

    2017-09-12

    The representation and storage of two-electron integral tensors are vital in large-scale applications of accurate electronic structure methods. Low-rank representation and efficient storage strategy of integral tensors can significantly reduce the numerical overhead and consequently time-to-solution of these methods. In this work, by combining pivoted incomplete Cholesky decomposition (CD) with a follow-up truncated singular vector decomposition (SVD), we develop a decomposition strategy to approximately represent the two-electron integral tensor in terms of low-rank vectors. A systematic benchmark test on a series of 1-D, 2-D, and 3-D carbon-hydrogen systems demonstrates high efficiency and scalability of the compound two-step decomposition of the two-electron integral tensor in our implementation. For the size of the atomic basis set, Nb, ranging from ∼100 up to ∼2,000, the observed numerical scaling of our implementation shows [Formula: see text] versus [Formula: see text] cost of performing single CD on the two-electron integral tensor in most of the other implementations. More importantly, this decomposition strategy can significantly reduce the storage requirement of the atomic orbital (AO) two-electron integral tensor from [Formula: see text] to [Formula: see text] with moderate decomposition thresholds. The accuracy tests have been performed using ground- and excited-state formulations of coupled cluster formalism employing single and double excitations (CCSD) on several benchmark systems including the C60 molecule described by nearly 1,400 basis functions. The results show that the decomposition thresholds can be generally set to 10-4 to 10-3 to give acceptable compromise between efficiency and accuracy.

  12. High-resolution spectroscopy of jet-cooled 1,1'-diphenylethylene: electronically excited and ionic states of a prototypical cross-conjugated system.

    Science.gov (United States)

    Smolarek, Szymon; Vdovin, Alexander; Rijs, Anouk; van Walree, Cornelis A; Zgierski, Marek Z; Buma, Wybren J

    2011-09-01

    The photophysics of a prototypical cross-conjugated π-system, 1,1'-diphenylethylene, have been studied using high-resolution resonance enhanced multiphoton ionization excitation spectroscopy and zero kinetic energy photoelectron spectroscopy, in combination with advanced ab initio calculations. We find that the excitation spectrum of S(1) displays extensive vibrational progressions that we identify to arise from large changes in the torsional angles of the phenyl rings upon electronic excitation. The extensive activity of the antisymmetric inter-ring torsional vibration provides conclusive evidence for a loss of symmetry upon excitation, leading to an inequivalence of the two phenyl rings. Nonresonant zero kinetic energy photoelectron spectroscopy from the ground state of the neutral molecule to the ground state of the radical cation, on the other hand, demonstrates that upon ionization symmetry is retained, and that the geometry changes are considerably smaller. Apart from elucidating how removal of an electron affects the structure of the molecule, these measurements provide an accurate value for the adiabatic ionization energy (65274 ± 1 cm(-1) (8.093 eV)). Zero kinetic energy photoelectron spectra obtained after excitation of vibronic levels in S(1) confirm these conclusions and provide us with an extensive atlas of ionic vibronic energy levels. For higher excitation energies the excitation spectrum of S(1) becomes quite congested and shows unexpected large intensities. Ab initio calculations strongly suggest that this is caused by a conical intersection between S(1) and S(2). © 2011 American Chemical Society

  13. A high-pressure van der Waals compound in solid nitrogen-helium mixtures

    Science.gov (United States)

    Vos, W. L.; Finger, L. W.; Hemley, R. J.; Hu, J. Z.; Mao, H. K.; Schouten, J. A.

    1992-01-01

    A detailed diamond anvil-cell study using synchrotron X-ray diffraction, Raman scattering, and optical microscopy has been conducted for the He-N system, with a view to the weakly-bound van der Waals molecule interactions that can be formed in the gas phase. High pressure is found to stabilize the formation of a stoichiometric, solid van der Waals compound of He(N2)11 composition which may exemplify a novel class of compounds found at high pressures in the interiors of the outer planets and their satellites.

  14. Tunable catalytic properties of bi-functional mixed oxides in ethanol conversion to high value compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ramasamy, Karthikeyan K.; Gray, Michel J.; Job, Heather M.; Smith, Colin D.; Wang, Yong

    2016-04-10

    tA highly versatile ethanol conversion process to selectively generate high value compounds is pre-sented here. By changing the reaction temperature, ethanol can be selectively converted to >C2alcohols/oxygenates or phenolic compounds over hydrotalcite derived bi-functional MgO–Al2O3cata-lyst via complex cascade mechanism. Reaction temperature plays a role in whether aldol condensationor the acetone formation is the path taken in changing the product composition. This article containsthe catalytic activity comparison between the mono-functional and physical mixture counterpart to thehydrotalcite derived mixed oxides and the detailed discussion on the reaction mechanisms.

  15. High-Throughput Yeast-Based Reporter Assay to Identify Compounds with Anti-inflammatory Potential.

    Science.gov (United States)

    Garcia, G; Santos, C Nunes do; Menezes, R

    2016-01-01

    The association between altered proteostasis and inflammatory responses has been increasingly recognized, therefore the identification and characterization of novel compounds with anti-inflammatory potential will certainly have a great impact in the therapeutics of protein-misfolding diseases such as degenerative disorders. Although cell-based screens are powerful approaches to identify potential therapeutic compounds, establishing robust inflammation models amenable to high-throughput screening remains a challenge. To bridge this gap, we have exploited the use of yeasts as a platform to identify lead compounds with anti-inflammatory properties. The yeast cell model described here relies on the high-degree homology between mammalian and yeast Ca(2+)/calcineurin pathways converging into the activation of NFAT and Crz1 orthologous proteins, respectively. It consists of a recombinant yeast strain encoding the lacZ gene under the control of Crz1-recongition elements to facilitate the identification of compounds interfering with Crz1 activation through the easy monitoring of β-galactosidase activity. Here, we describe in detail a protocol optimized for high-throughput screening of compounds with potential anti-inflammatory activity as well as a protocol to validate the positive hits using an alternative β-galactosidase substrate.

  16. Highly Emitting Near-Infrared Lanthanide “Encapsulated Sandwich” Metallacrown Complexes with Excitation Shifted Toward Lower Energy

    Science.gov (United States)

    2015-01-01

    Near-infrared (NIR) luminescent lanthanide complexes hold great promise for practical applications, as their optical properties have several complementary advantages over organic fluorophores and semiconductor nanoparticles. The fundamental challenge for lanthanide luminescence is their sensitization through suitable chromophores. The use of the metallacrown (MC) motif is an innovative strategy to arrange several organic sensitizers at a well-controlled distance from a lanthanide cation. Herein we report a series of lanthanide “encapsulated sandwich” MC complexes of the form Ln3+[12-MCZn(II),quinHA-4]2[24-MCZn(II),quinHA-8] (Ln3+[Zn(II)MCquinHA]) in which the MC framework is formed by the self-assembly of Zn2+ ions and tetradentate chromophoric ligands based on quinaldichydroxamic acid (quinHA). A first-generation of luminescent MCs was presented previously but was limited due to excitation wavelengths in the UV. We report here that through the design of the chromophore of the MC assembly, we have significantly shifted the absorption wavelength toward lower energy (450 nm). In addition to this near-visible inter- and/or intraligand charge transfer absorption, Ln3+[Zn(II)MCquinHA] exhibits remarkably high quantum yields, long luminescence lifetimes (CD3OD; Yb3+, QLnL = 2.88(2)%, τobs = 150.7(2) μs; Nd3+, QLnL = 1.35(1)%, τobs = 4.11(3) μs; Er3+, QLnL = 3.60(6)·10–2%, τobs = 11.40(3) μs), and excellent photostability. Quantum yields of Nd3+ and Er3+ MCs in the solid state and in deuterated solvents, upon excitation at low energy, are the highest values among NIR-emitting lanthanide complexes containing C–H bonds. The versatility of the MC strategy allows modifications in the excitation wavelength and absorptivity through the appropriate design of the ligand sensitizer, providing a highly efficient platform with tunable properties. PMID:24432702

  17. Static diode pumped alkali lasers: Model calculations of the effects of heating, ionization, high electronic excitation and chemical reactions

    Science.gov (United States)

    Barmashenko, B. D.; Rosenwaks, S.; Heaven, M. C.

    2013-04-01

    The effects of heating, ionization, high electronic excitation and chemical reactions on the operation of diode pumped alkali lasers (DPALs) with a static, non-flowing gain medium are calculated using a semi-analytical model. Unlike other models, assuming a three-level scheme of the laser and neglecting influence of the temperature on the lasing power, it takes into account the temperature rise and losses of neutral alkali atoms due to ionization and chemical reactions, resulting in decrease of the pump absorption and slope efficiency. Good agreement with measurements in a static DPAL [B.V. Zhdanov, J. Sell, R.J. Knize, Electron. Lett. 44 (2008) 582] is obtained. It is found that the ionization processes have a small effect on the laser operation, whereas the chemical reactions of alkali atoms with hydrocarbons strongly affect the lasing power.

  18. Multiple reflected beam synthesis of fields excited by a high-frequency oblique beam input in an elastic plate.

    Science.gov (United States)

    Zeroug, S; Felsen, L B

    1992-04-01

    Transducer-excited beams provide important diagnostic tools for ultrasonic nondestructive evaluation (NDE) of elastic materials. For bonded multilayer elastic plates, an obliquely injected high-frequency compressional (P) beam creates interior dynamic fields that are sensitive to weak debonding between the layers. In an effort to clarify the wave phenomena that are operative under these conditions of excitation, a highly idealized model has been chosen wherein a lossless plate in vacuum is insonified by an internal oblique P-beam source. This problem was analyzed in a previous investigation [Lu, Felsen, and Klosner, J. Acoust. Soc. Am. 87, 42-53 (1990)] by expressing the total field in terms of a sum of P-S (vertically polarized or in-plane) coupled normal modes. While the resulting field assumed oscillatory modal patterns at interior cross sections far from the source region, the modally synthesized field near the source clearly outlined profiles interpretable as incident and singly or multiply reflected P-S coupled beams. The problem is therefore studied here directly by Gaussian beam tracing as implemented via our previously employed complex ray field algorithm. The results clarify the observed phenomena by revealing the successive buildup from initially well-resolved beams into oscillatory mode patterns synthesized by overlapping multiples. For the same idealized model, the beam algorithm has been applied elsewhere to the detection and identification of weak debonding in a layered plate [Felsen and Zeroug, J. Acoust. Soc. Am. 90, 1527-1538 (1991)]. With an understanding of the physical mechanisms that arise in the beam-to-mode conversion, one may now explore how their utility is affected under realistic NDE conditions.

  19. Improved contrast for high frame rate imaging using coherent compounding combined with spatial matched filtering.

    Science.gov (United States)

    Lou, Yang; Yen, Jesse T

    2017-07-01

    The concept of high frame rate ultrasound imaging (typically greater than 1000 frames per second) has inspired new fields of clinical applications for ultrasound imaging such as fast cardiovascular imaging, fast Doppler imaging and real-time 3D imaging. Coherent plane-wave compounding is a promising beamforming technique to achieve high frame rate imaging. By combining echoes from plane waves with different angles, dynamic transmit focusing is efficiently accomplished at all points in the image field. Meanwhile, the image frame rate can still be kept at a high level. Spatial matched filtering (SMF) with plane-wave insonification is a novel ultrafast beamforming method. An analytical study shows that SMF is equivalent to synthetic aperture methods that can provide dynamic transmit-receive focusing throughout the field of view. Experimental results show that plane-wave SMF has better performance than dynamic-receive focusing. In this paper, we propose integrating coherent plane-wave compounding with SMF to obtain greater image contrast. By using a combination of SMF beamformed images, image contrast is improved without degrading its high frame rate capabilities. The performance of compounded SMF (CSMF) is evaluated and compared with that of synthetic aperture focusing technique (SAFT) beamforming and compounded dynamic-receive-focus (CDRF) beamforming. The image quality of different beamforming methods was quantified in terms of contrast-to-noise ratio (CNR). Our results show that the new SMF based plane-wave compounding method provides better contrast than DAS based compounding method. Also CSMF can obtain a similar contrast level to dynamic transmit-receive focusing with only 21 transmit events. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Representing high throughput expression profiles via perturbation barcodes reveals compound targets.

    Directory of Open Access Journals (Sweden)

    Tracey M Filzen

    2017-02-01

    Full Text Available High throughput mRNA expression profiling can be used to characterize the response of cell culture models to perturbations such as pharmacologic modulators and genetic perturbations. As profiling campaigns expand in scope, it is important to homogenize, summarize, and analyze the resulting data in a manner that captures significant biological signals in spite of various noise sources such as batch effects and stochastic variation. We used the L1000 platform for large-scale profiling of 978 representative genes across thousands of compound treatments. Here, a method is described that uses deep learning techniques to convert the expression changes of the landmark genes into a perturbation barcode that reveals important features of the underlying data, performing better than the raw data in revealing important biological insights. The barcode captures compound structure and target information, and predicts a compound's high throughput screening promiscuity, to a higher degree than the original data measurements, indicating that the approach uncovers underlying factors of the expression data that are otherwise entangled or masked by noise. Furthermore, we demonstrate that visualizations derived from the perturbation barcode can be used to more sensitively assign functions to unknown compounds through a guilt-by-association approach, which we use to predict and experimentally validate the activity of compounds on the MAPK pathway. The demonstrated application of deep metric learning to large-scale chemical genetics projects highlights the utility of this and related approaches to the extraction of insights and testable hypotheses from big, sometimes noisy data.

  1. High-throughput microfluidics and ultrafast optics for in vivo compound/genetic discoveries

    Science.gov (United States)

    Rohde, Christopher B.; Gilleland, Cody; Samara, Chrysanthi; Yanik, M. Fatih

    2010-02-01

    Therapeutic treatment of spinal cord injuries, brain trauma, stroke, and neurodegenerative diseases will greatly benefit from the discovery of compounds that enhance neuronal regeneration following injury. We previously demonstrated the use of femtosecond laser microsurgery to induce precise and reproducible neural injury in C. elegans, and have developed microfluidic on-chip technologies that allow automated and rapid manipulation, orientation, and non-invasive immobilization of animals for sub-cellular resolution two-photon imaging and femtosecond-laser nanosurgery. These technologies include microfluidic whole-animal sorters, as well as integrated chips containing multiple addressable incubation chambers for exposure of individual animals to compounds and sub-cellular time-lapse imaging of hundreds of animals on a single chip. Our technologies can be used for a variety of highly sophisticated in vivo high-throughput compound and genetic screens, and we performed the first in vivo screen in C. elegans for compounds enhancing neuronal regrowth following femtosecond microsurgery. The compounds identified interact with a wide variety of cellular targets, such as cytoskeletal components, vesicle trafficking, and protein kinases that enhance neuronal regeneration.

  2. A novel PM motor with hybrid PM excitation and asymmetric rotor structure for high torque performance

    Science.gov (United States)

    Xu, Gaohong; Liu, Guohai; Du, Xinxin; Bian, Fangfang

    2017-05-01

    This paper proposes a novel permanent magnet (PM) motor for high torque performance, in which hybrid PM material and asymmetric rotor design are applied. The hybrid PM material is adopted to reduce the consumption of rare-earth PM because ferrite PM is assisted to enhance the torque production. Meanwhile, the rotor structure is designed to be asymmetric by shifting the surface-insert PM (SPM), which is used to improve the torque performance, including average torque and torque ripple. Moreover, the reasons for improvement of the torque performance are explained by evaluation and analysis of the performances of the proposed motor. Compared with SPM motor and V-type motor, the merit of high utilization ratio of rare-earth PM is also confirmed, showing that the proposed motor can offer higher torque density and lower torque ripple simultaneously with less consumption of rare-earth PM.

  3. Exciting middle and high school students about immunology: an easy, inquiry-based lesson.

    Science.gov (United States)

    Lukin, Kara

    2013-03-01

    High school students in the United States are apathetic about science, technology, engineering and mathematics (STEM), and the workforce pipeline in these areas is collapsing. The lack of understanding of basic principles of biology means that students are unable to make educated decisions concerning their personal health. To address these issues, we have developed a simple, inquiry-based outreach lesson centered on a mouse dissection. Students learn key concepts in immunology and enhance their understanding of human organ systems. The experiment highlights aspects of the scientific method and authentic data collection and analysis. This hands-on activity stimulates interest in biology, personal health and careers in STEM fields. Here, we present all the information necessary to execute the lesson effectively with middle and high school students.

  4. The excitation of plasma convection in the high-latitude ionosphere

    OpenAIRE

    Lockwood, Mike; Cowley, S. W. H.; Freeman, M. P.

    1990-01-01

    Recent observations of ionospheric flows by ground-based radars, in particular by the European Incoherent Scatter (EISCAT) facility using the “Polar” experiment, together with previous analyses of the response of geomagnetic disturbance to variations of the interplanetary magnetic field (IMF), suggest that convection in the high-latitude ionosphere should be considered to be the sum of two intrinsically time-dependent patterns, one driven by solar wind-magnetosphere coupling at the dayside ma...

  5. Seismic Response of Base-Isolated High-Rise Buildings under Fully Nonstationary Excitation

    Directory of Open Access Journals (Sweden)

    C. F. Ma

    2014-01-01

    Full Text Available Stochastic seismic responses of base-isolated high-rise buildings subjected to fully nonstationary earthquake ground motion are computed by combining the pseudoexcitation and the equivalent linearization methods, and the accuracy of results obtained by the pseudoexcitation method is verified by the Monte Carlo method. The superstructure of a base-isolated high-rise building is represented by a finite element model and a shear-type multi-degree of freedom model, respectively. The influence of the model type and the number of the modes of the superstructure participating in the computation of the dynamic responses of the isolated system has been investigated. The results of a 20-storey, 3D-frame with height to width ratio of 4 show that storey drifts and absolute accelerations of the superstructure for such a high-rise building will be substantially underestimated if the shear-type multi-degree of freedom model is employed or the higher modes of the superstructure are neglected; however, this has nearly no influence on the drift of the base slab.

  6. Preparation of carbon nanoparticles and carbon nitride from high nitrogen compound

    Energy Technology Data Exchange (ETDEWEB)

    Huynh, My Hang V [Los Alamos, NM; Hiskey, Michael A [Los Alamos, NM

    2009-09-01

    The high-nitrogen compound 3,6-di(azido)-1,2,4,5-tetrazine (DiAT) was synthesized by a relatively simple method and used as a precursor for the preparation of carbon nanospheres and nanopolygons, and nitrogen-rich carbon nitrides.

  7. The use of surface corona discharges to excite high-pressure gas-lasers

    Directory of Open Access Journals (Sweden)

    D. J. Brink

    1982-03-01

    Full Text Available A stabilization technique for the production of homogeneous gas discharge at high pressures has been developed. The technique is based on photo-pre-ionization from a corona-type surface-discharge. It was possible to develop a number of laser systems based on this stabilization principle, which exceeded the performance of conventional systems in many respects. This paper provides a summary of the most important properties and principles of the surface discharges. Four laser systems utilizing this stabilization method are also discussed.

  8. Highly Efficient and Excitation Tunable Two-Photon Luminescence Platform For Targeted Multi-Color MDRB Imaging Using Graphene Oxide

    Science.gov (United States)

    Pramanik, Avijit; Fan, Zhen; Chavva, Suhash Reddy; Sinha, Sudarson Sekhar; Ray, Paresh Chandra

    2014-08-01

    Multiple drug-resistance bacteria (MDRB) infection is one of the top three threats to human health according to the World Health Organization (WHO). Due to the large penetration depth and reduced photodamage, two-photon imaging is an highly promising technique for clinical MDRB diagnostics. Since most commercially available water-soluble organic dyes have low two-photon absorption cross-section and rapid photobleaching tendency, their applications in two-photon imaging is highly limited. Driven by the need, in this article we report extremely high two-photon absorption from aptamer conjugated graphene oxide (σ2PA = 50800 GM) which can be used for highly efficient two-photon fluorescent probe for MDRB imaging. Reported experimental data show that two-photon photoluminescence imaging color, as well as luminescence peak position can be tuned from deep blue to red, just by varying the excitation wavelength without changing its chemical composition and size. We have demonstrated that graphene oxide (GO) based two-photon fluorescence probe is capable of imaging of multiple antibiotics resistance MRSA in the first and second biological transparency windows using 760-1120 nm wavelength range.

  9. MgB_{2} nonlinear properties investigated under localized high rf magnetic field excitation

    Directory of Open Access Journals (Sweden)

    Tamin Tai

    2012-12-01

    Full Text Available The high transition temperature and low surface resistance of MgB_{2} attracts interest in its potential application in superconducting radio frequency accelerating cavities. However, compared to traditional Nb cavities, the viability of MgB_{2} at high rf fields is still open to question. Our approach is to study the nonlinear electrodynamics of the material under localized rf magnetic fields. Because of the presence of the small superconducting gap in the π band, the nonlinear response of MgB_{2} at low temperature is potentially complicated compared to a single-gap s-wave superconductor such as Nb. Understanding the mechanisms of nonlinearity coming from the two-band structure of MgB_{2}, as well as extrinsic sources of nonlinearity, is an urgent requirement. A localized and strong rf magnetic field, created by a magnetic write head, is integrated into our nonlinear-Meissner-effect scanning microwave microscope [T. Tai et al., IEEE Trans. Appl. Supercond. 21, 2615 (2011ITASE91051-822310.1109/TASC.2010.2096531]. MgB_{2} films with thickness 50 nm, fabricated by a hybrid physical-chemical vapor deposition technique on dielectric substrates, are measured at a fixed location and show a strongly temperature-dependent third harmonic response. We propose that several possible mechanisms are responsible for this nonlinear response.

  10. Highly Promiscuous Small Molecules from Biological Screening Assays Include Many Pan-Assay Interference Compounds but Also Candidates for Polypharmacology.

    Science.gov (United States)

    Gilberg, Erik; Jasial, Swarit; Stumpfe, Dagmar; Dimova, Dilyana; Bajorath, Jürgen

    2016-11-23

    In PubChem screening assays, 466 highly promiscuous compounds were identified that were examined for known pan-assay interference compounds (PAINS) and aggregators using publicly available filters. These filters detected 210 PAINS and 67 aggregators. Compounds passing the filters included additional PAINS that were not detected, mostly due to tautomerism, and a variety of other potentially reactive compounds currently not encoded as PAINS. For a subset of compounds passing the filters, there was no evidence of potential artifacts. These compounds are considered candidates for further exploring multitarget activities and the molecular basis of polypharmacology.

  11. Libraries as a venue for exciting education technology, both high tech and low

    Science.gov (United States)

    Harold, J. B.; Dusenbery, P.; Holland, A.

    2016-12-01

    Public libraries provide a broad range of possibilities for reaching diverse audiences with NASA and STEM related content and activities, from hands-on activities, to interactive kiosks incorporating science based games, simulations, and real-time data. NCIL/SSI has been developing STEM-based exhibits and program activities for public libraries since 2007, and is currently managing 7 national tours in partnership with the American Library Association and other organizations. Past and current exhibitions will reach over 100 libraries and an estimated 1.5 million patrons. In this paper we will discuss a range of findings from almost a decade of deploying both high and low tech STEM learning strategies into libraries, including usage and engagement by library patrons, and challenges (and solutions) for deploying technologically sophisticated components into libraries which may or may not have dedicated technical staff.

  12. Near Infrared Emission of Highly Electronically Excited CO: A Sensitive Probe to Study the Interstellar Medium??

    Science.gov (United States)

    Gudipati, Murthy S.

    2002-01-01

    Among the various spectroscopic features of the second most abundant molecule in the space, CO, "the triplet - triplet transitions involving the lowest triplet state a(sup 3)II and the higher-lying a(sup 1)3 SIGMA (sup +), d(sup 3) (DELTA), e (sup 3) SIGMA (sup -) states spanning near-UV to mid-IR spectral range" have so far not been explored in astrophysical observations. The energies of these transitions are highly sensitive to the surroundings in which CO exists, i.e. gas-phase, polar or non-polar condensed phase. It is proposed here that these triplet-triplet emission/absorption bands can be used as a sensitive probe to investigate the local environments of CO, whether in the planetary atmosphere, stellar atmosphere or interstellar medium.

  13. Determination of Charge Component Composition in Self-Propagating High-Temperature Synthesis of Intermetallic Compounds

    Science.gov (United States)

    Evtushenko, A. T.; Lebedeva, O. A.; Torbunov, S. S.

    2005-05-01

    A method for determining the component composition of the charge for the self-propagating high-temperature synthesis of intermetallic compounds from the maximum value of the emitted heat in the combustion of thermit, which is required for melting the alloying components, is suggested. The mass composition of the alloying components is determined by solving a closed system of algebraic equations represented by regression equations derived from the results of physical experiment for obtaining specific properties of the intermetallic compound. Theoretical computations are partially confirmed by experimental results.

  14. Identification of fluorescent compounds with non-specific binding property via high throughput live cell microscopy.

    Directory of Open Access Journals (Sweden)

    Sangeeta Nath

    Full Text Available INTRODUCTION: Compounds exhibiting low non-specific intracellular binding or non-stickiness are concomitant with rapid clearing and in high demand for live-cell imaging assays because they allow for intracellular receptor localization with a high signal/noise ratio. The non-stickiness property is particularly important for imaging intracellular receptors due to the equilibria involved. METHOD: Three mammalian cell lines with diverse genetic backgrounds were used to screen a combinatorial fluorescence library via high throughput live cell microscopy for potential ligands with high in- and out-flux properties. The binding properties of ligands identified from the first screen were subsequently validated on plant root hair. A correlative analysis was then performed between each ligand and its corresponding physiochemical and structural properties. RESULTS: The non-stickiness property of each ligand was quantified as a function of the temporal uptake and retention on a cell-by-cell basis. Our data shows that (i mammalian systems can serve as a pre-screening tool for complex plant species that are not amenable to high-throughput imaging; (ii retention and spatial localization of chemical compounds vary within and between each cell line; and (iii the structural similarities of compounds can infer their non-specific binding properties. CONCLUSION: We have validated a protocol for identifying chemical compounds with non-specific binding properties that is testable across diverse species. Further analysis reveals an overlap between the non-stickiness property and the structural similarity of compounds. The net result is a more robust screening assay for identifying desirable ligands that can be used to monitor intracellular localization. Several new applications of the screening protocol and results are also presented.

  15. Prediction of superconducting iron-bismuth intermetallic compounds at high pressure.

    Science.gov (United States)

    Amsler, Maximilian; Naghavi, S Shahab; Wolverton, Chris

    2017-03-01

    The synthesis of materials in high-pressure experiments has recently attracted increasing attention, especially since the discovery of record breaking superconducting temperatures in the sulfur-hydrogen and other hydrogen-rich systems. Commonly, the initial precursor in a high pressure experiment contains constituent elements that are known to form compounds at ambient conditions, however the discovery of high-pressure phases in systems immiscible under ambient conditions poses an additional materials design challenge. We performed an extensive multi component ab initio structural search in the immiscible Fe-Bi system at high pressure and report on the surprising discovery of two stable compounds at pressures above ≈36 GPa, FeBi2 and FeBi3. According to our predictions, FeBi2 is a metal at the border of magnetism with a conventional electron-phonon mediated superconducting transition temperature of Tc = 1.3 K at 40 GPa.

  16. High hardness in the biocompatible intermetallic compound β-Ti3Au.

    Science.gov (United States)

    Svanidze, Eteri; Besara, Tiglet; Ozaydin, M Fevsi; Tiwary, Chandra Sekhar; Wang, Jiakui K; Radhakrishnan, Sruthi; Mani, Sendurai; Xin, Yan; Han, Ke; Liang, Hong; Siegrist, Theo; Ajayan, Pulickel M; Morosan, E

    2016-07-01

    The search for new hard materials is often challenging, but strongly motivated by the vast application potential such materials hold. Ti3Au exhibits high hardness values (about four times those of pure Ti and most steel alloys), reduced coefficient of friction and wear rates, and biocompatibility, all of which are optimal traits for orthopedic, dental, and prosthetic applications. In addition, the ability of this compound to adhere to ceramic parts can reduce both the weight and the cost of medical components. The fourfold increase in the hardness of Ti3Au compared to other Ti-Au alloys and compounds can be attributed to the elevated valence electron density, the reduced bond length, and the pseudogap formation. Understanding the origin of hardness in this intermetallic compound provides an avenue toward designing superior biocompatible, hard materials.

  17. Excited state Intramolecular Proton Transfer in Anthralin

    DEFF Research Database (Denmark)

    Møller, Søren; Andersen, Kristine B.; Spanget-Larsen, Jens

    1998-01-01

    Quantum chemical calculations performed on anthralin (1,8-dihydroxy-9(10H)-anthracenone) predict the possibility of an excited-state intramolecular proton transfer process. Fluorescence excitation and emission spectra of the compound dissolved in n-hexane at ambient temperature results in an unus......Quantum chemical calculations performed on anthralin (1,8-dihydroxy-9(10H)-anthracenone) predict the possibility of an excited-state intramolecular proton transfer process. Fluorescence excitation and emission spectra of the compound dissolved in n-hexane at ambient temperature results......, associated with an excited-state intramolecular proton transfer process....

  18. Continuous extraction of phenolic compounds from pomegranate peel using high voltage electrical discharge.

    Science.gov (United States)

    Xi, Jun; He, Lang; Yan, Liang-Gong

    2017-09-01

    Pomegranate peel, a waste generated from fruit processing industry, is a potential source of phenolic compounds that are known for their anti-oxidative properties. In this study, a continuous high voltage electrical discharge (HVED) extraction system was for the first time designed and optimized for phenolic compounds from pomegranate peel. The optimal conditions for HVED were: flow rate of materials 12mL/min, electrodes gap distance 3.1mm (corresponding to 29kV/cm of electric field intensity) and liquid to solid ratio 35mL/g. Under these conditions, the experimental yield of phenolic compounds was 196.7±6.4mg/g, which closely agreed with the predicted value (199.83mg/g). Compared with the warm water maceration, HVED method possessed higher efficiency for the extraction of phenolic compounds. The results demonstrated that HVED technique could be a very effective method for continuous extraction of natural compounds. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Element Selective Probe of the Ultra-Fast Magnetic Response to an Element Selective Excitation in Fe-Ni Compounds Using a Two-Color FEL Source

    Directory of Open Access Journals (Sweden)

    Eugenio Ferrari

    2017-01-01

    Full Text Available The potential of the two-color mode implemented at the FERMI free-electron laser (FEL source for pumping and probing selectively different atomic species has been demonstrated by time-resolved scattering experiments with permalloy (FeNi alloy and NiFe2O4 samples. We monitored the ultra-fast demagnetization of Ni induced by the pump FEL pulse, by tuning the linearly-polarized FEL probe pulse to the Ni-3p resonance and measuring the scattered intensity in the transverse magneto-optical Kerr effect geometry. The measurements were performed by varying the intensity of the FEL pump pulse, tuning its wavelength to and off of the Fe-3p resonance, and by spanning the FEL probe pulse delays across the 300–900 fs range. The obtained results have evidenced that for the case of NiFe2O4, there is a sensible difference in the magnetic response at the Ni site when the pump pulse causes electronic excitations at the Fe site.

  20. Gapped Spin-1/2 Spinon Excitations in a New Kagome Quantum Spin Liquid Compound Cu3Zn(OH)6FBr

    Science.gov (United States)

    Feng, Zili; Li, Zheng; Meng, Xin; Yi, Wei; Wei, Yuan; Zhang, Jun; Wang, Yan-Cheng; Jiang, Wei; Liu, Zheng; Li, Shiyan; Liu, Feng; Luo, Jianlin; Li, Shiliang; Zheng, Guo-qing; Meng, Zi Yang; Mei, Jia-Wei; Shi, Youguo

    2017-06-01

    We report a new kagome quantum spin liquid candidate Cu3Zn(OH)6FBr, which does not experience any phase transition down to 50 mK, more than three orders lower than the antiferromagnetic Curie-Weiss temperature (∼200 K). A clear gap opening at low temperature is observed in the uniform spin susceptibility obtained from 19F nuclear magnetic resonance measurements. We observe the characteristic magnetic field dependence of the gap as expected for fractionalized spin-1/2 spinon excitations. Our experimental results provide firm evidence for spin fractionalization in a topologically ordered spin system, resembling charge fractionalization in the fractional quantum Hall state. Supported by the National Key Research and Development Program of China under Grant Nos 2016YFA0300502, 2016YFA0300503, 2016YFA0300604, 2016YF0300300 and 2016YFA0300802, the National Natural Science Foundation of China under Grant Nos 11421092, 11474330, 11574359, 11674406, 11374346 and 11674375, the National Basic Research Program of China (973 Program) under Grant No 2015CB921304, the National Thousand-Young-Talents Program of China, the Strategic Priority Research Program (B) of the Chinese Academy of Sciences under Grant Nos XDB07020000, XDB07020200 and XDB07020300. The work in Utah is supported by DOE-BES under Grant No DE-FG02-04ER46148.

  1. Intramolecular photoassociation and photoinduced charge transfer in bridged diaryl compounds. 2. Charge-transfer interactions in the lowest excited singlet state of dinaphthylamines

    Energy Technology Data Exchange (ETDEWEB)

    Dresner, J.; Modiano, S.H.; Lim, E.C. [Univ. of Akron, OH (United States)

    1992-05-28

    The formation of an intramolecular charge-transfer (CT) exciplex is demonstrated for 1,1{prime}-dinaphthylamine (1,1{prime}-DNA) and 2,2{prime}-dinaphthylamine (2,2{prime}-DNA) in the lowest excited singlet state using steady-state and picosecond time-resolved fluorescence spectroscopy. The exciplex is formed through a mutual reorientation of the two naphthalene rings. Differences in the rate of formation and relaxation of the CT state for 1,1{prime}-DNA and 2,2{prime}-DNA indicate the importance of the bridge position in this process. The comparison of the steady-state fluorescence of 2,2{prime}-DNA with that of its protonated form, as well as the fluorescence of 2,2{prime}-dinaphthyl ether and 2,2{prime}-dinaphthylmethane, show the role of the lone-pair electrons of the nitrogen atom in the exciplex formation. 18 refs., 20 figs., 5 tabs.

  2. High resolution IR diode laser study of collisional energy transfer between highly vibrationally excited monofluorobenzene and CO2: the effect of donor fluorination on strong collision energy transfer.

    Science.gov (United States)

    Kim, Kilyoung; Johnson, Alan M; Powell, Amber L; Mitchell, Deborah G; Sevy, Eric T

    2014-12-21

    Collisional energy transfer between vibrational ground state CO2 and highly vibrationally excited monofluorobenzene (MFB) was studied using narrow bandwidth (0.0003 cm(-1)) IR diode laser absorption spectroscopy. Highly vibrationally excited MFB with E' = ∼41,000 cm(-1) was prepared by 248 nm UV excitation followed by rapid radiationless internal conversion to the electronic ground state (S1→S0*). The amount of vibrational energy transferred from hot MFB into rotations and translations of CO2 via collisions was measured by probing the scattered CO2 using the IR diode laser. The absolute state specific energy transfer rate constants and scattering probabilities for single collisions between hot MFB and CO2 were measured and used to determine the energy transfer probability distribution function, P(E,E'), in the large ΔE region. P(E,E') was then fit to a bi-exponential function and extrapolated to the low ΔE region. P(E,E') and the biexponential fit data were used to determine the partitioning between weak and strong collisions as well as investigate molecular properties responsible for large collisional energy transfer events. Fermi's Golden rule was used to model the shape of P(E,E') and identify which donor vibrational motions are primarily responsible for energy transfer. In general, the results suggest that low-frequency MFB vibrational modes are primarily responsible for strong collisions, and govern the shape and magnitude of P(E,E'). Where deviations from this general trend occur, vibrational modes with large negative anharmonicity constants are more efficient energy gateways than modes with similar frequency, while vibrational modes with large positive anharmonicity constants are less efficient at energy transfer than modes of similar frequency.

  3. Excited states 4

    CERN Document Server

    Lim, Edward C

    2013-01-01

    Excited States, Volume 4 is a collection of papers that deals with the excited states of molecular activity. One paper investigates the resonance Raman spectroscopy as the key to vibrational-electronic coupling. This paper reviews the basic theory of Raman scattering; it also explains the derivation of the Raman spectra, excitation profiles, and depolarization ratios for simple resonance systems. Another paper reviews the magnetic properties of triplet states, including the zero-field resonance techniques, the high-field experiments, and the spin Hamiltonian. This paper focuses on the magnetic

  4. Exciting (and detecting) gravitational waves from the tidally produced f-modes in highly eccentric neutron star binaries

    Science.gov (United States)

    Chirenti, Cecilia; Gold, Roman; Miller, M. Coleman

    2017-08-01

    After the first recent detections of gravitational waves from binary black holes, we expect to observe next gravitational radiation from neutron stars in the near future. Most interestingly, the signal from neutron star binaries could also carry information about the equation of state of cold, catalyzed, dense matter in the interior of neutron stars, which is in a regime not accessible to nuclear and particle physics experiments on Earth. For analyzing this information, more advanced gravitational wave detectors will be needed, such as third-generation detectors like the Einstein Telescope or the Cosmic Explorer. Besides the gravitational wave signal produced by the orbital motion and merger of the binary, a rich spectrum of characteristic fluid oscillations is expected to be produced with low amplitude in the ringdown. The frequencies and physical properties of these modes have been extensively studied in linear perturbation theory (both Newtonian and relativistic) and they have already been found in numerical relativity simulations of isolated neutron stars and of hypermassive remnants of double neutron star mergers. Due to the high frequency of the fundamental (f-)modes, of the order of 1-2 kHz, the resonant excitation of these modes is not expected to be detectable in circular binaries. However, highly eccentric binaries could have the potential for exciting f-modes in their close passages, and recent numerical relativity simulations indicate that the energy deposited in the f-modes could be up to two orders of magnitude greater than predicted in the linear theory. The merger of highly eccentric neutron star binaries will be rare events, but we estimate that up to several tens could be detected per year out to the redshifts ~2-6 accessible with third-generation instruments. Finally, we note that the information from the amplitude, frequency and damping time of the f-modes can be used for simultaneously measuring the masses, moments of inertia and tidal Love

  5. Discovery of a superconducting Cu-Bi intermetallic compound by high-pressure synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Clarke, Samantha M.; Walsh, James P.S.; Malliakas, Christos D.; Freedman, Danna E. [Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry; Amsler, Maximilian; Wolverton, Chris [Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering; Yu, Tony; Wang, Yanbin [Chicago Univ., IL (United States). Center for Advanced Radiation Sources; Goedecker, Stefan [Basel Univ. (Switzerland). Dept. of Physics

    2016-10-17

    A new intermetallic compound, the first to be structurally identified in the Cu-Bi binary system, is reported. This compound is accessed by high-pressure reaction of the elements. Its detailed characterization, physical property measurements, and ab initio calculations are described. The commensurate crystal structure of Cu{sub 11}Bi{sub 7} is a unique variation of the NiAs structure type. Temperature-dependent electrical resistivity and heat capacity measurements reveal a bulk superconducting transition at T{sub c}=1.36 K. Density functional theory calculations further demonstrate that Cu{sub 11}Bi{sub 7} can be stabilized (relative to decomposition into the elements) at high pressure and temperature. These results highlight the ability of high-pressure syntheses to allow for inroads into heretofore-undiscovered intermetallic systems for which no thermodynamically stable binaries are known.

  6. Discovery of a Superconducting Cu-Bi Intermetallic Compound by High-Pressure Synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Clarke, Samantha M. [Department of Chemistry, Northwestern University, Evanston IL 60208 USA; Walsh, James P. S. [Department of Chemistry, Northwestern University, Evanston IL 60208 USA; Amsler, Maximilian [Department of Materials Science and Engineering, Northwestern University, Evanston IL 60208 USA; Malliakas, Christos D. [Department of Chemistry, Northwestern University, Evanston IL 60208 USA; Yu, Tony [Center for Advanced Radiation Sources, The University of Chicago, Chicago IL 60637 USA; Goedecker, Stefan [Department of Physics, Universität Basel, Kingelbergstr. 82 4056 Basel Switzerland; Wang, Yanbin [Center for Advanced Radiation Sources, The University of Chicago, Chicago IL 60637 USA; Wolverton, Chris [Department of Materials Science and Engineering, Northwestern University, Evanston IL 60208 USA; Freedman, Danna E. [Department of Chemistry, Northwestern University, Evanston IL 60208 USA

    2016-09-26

    A new intermetallic compound, the first to be structurally identified in the Cu-Bi binary system, is reported. This compound is accessed by high-pressure reaction of the elements. Its detailed characterization, physical property measurements, and ab initio calculations are described. The commensurate crystal structure of Cu11Bi7 is a unique variation of the NiAs structure type. Temperature-dependent electrical resistivity and heat capacity measurements reveal a bulk superconducting transition at Tc=1.36 K. Density functional theory calculations further demonstrate that Cu11Bi7 can be stabilized (relative to decomposition into the elements) at high pressure and temperature. These results highlight the ability of high-pressure syntheses to allow for inroads into heretofore-undiscovered intermetallic systems for which no thermodynamically stable binaries are known.

  7. Unraveling the structure and chemical mechanisms of highly oxygenated intermediates in oxidation of organic compounds

    KAUST Repository

    Wang, Zhandong

    2017-11-28

    Decades of research on the autooxidation of organic compounds have provided fundamental and practical insights into these processes; however, the structure of many key autooxidation intermediates and the reactions leading to their formation still remain unclear. This work provides additional experimental evidence that highly oxygenated intermediates with one or more hydroperoxy groups are prevalent in the autooxidation of various oxygenated (e.g., alcohol, aldehyde, keto compounds, ether, and ester) and nonoxygenated (e.g., normal alkane, branched alkane, and cycloalkane) organic compounds. These findings improve our understanding of autooxidation reaction mechanisms that are routinely used to predict fuel ignition and oxidative stability of liquid hydrocarbons, while also providing insights relevant to the formation mechanisms of tropospheric aerosol building blocks. The direct observation of highly oxygenated intermediates for the autooxidation of alkanes at 500–600 K builds upon prior observations made in atmospheric conditions for the autooxidation of terpenes and other unsaturated hydrocarbons; it shows that highly oxygenated intermediates are stable at conditions above room temperature. These results further reveal that highly oxygenated intermediates are not only accessible by chemical activation but also by thermal activation. Theoretical calculations on H-atom migration reactions are presented to rationalize the relationship between the organic compound’s molecular structure (n-alkane, branched alkane, and cycloalkane) and its propensity to produce highly oxygenated intermediates via extensive autooxidation of hydroperoxyalkylperoxy radicals. Finally, detailed chemical kinetic simulations demonstrate the influence of these additional reaction pathways on the ignition of practical fuels.

  8. Highly Stereoselective Synthesis of a Compound Collection Based on the Bicyclic Scaffolds of Natural Products

    Directory of Open Access Journals (Sweden)

    Murali Annamalai

    2017-05-01

    Full Text Available Despite the great contribution of natural products in the history of successful drug discovery, there are significant limitations that persuade the pharmaceutical industry to evade natural products in drug discovery research. The extreme scarcity as well as structural complexity of natural products renders their practical synthetic access and further modifications extremely challenging. Although other alternative technologies, particularly combinatorial chemistry, were embraced by the pharmaceutical industry to get quick access to a large number of small molecules with simple frameworks that often lack three-dimensional complexity, hardly any success was achieved in the discovery of lead molecules. To acquire chemotypes beholding structural features of natural products, for instance high sp3 character, the synthesis of compound collections based on core-scaffolds of natural products presents a promising strategy. Here, we report a natural product inspired synthesis of six different chemotypes and their derivatives for drug discovery research. These bicyclic hetero- and carbocyclic scaffolds are highly novel, rich in sp3 features and with ideal physicochemical properties to display drug likeness. The functional groups on the scaffolds were exploited further to generate corresponding compound collections. Synthesis of two of these collections exemplified with ca. 350 compounds are each also presented. The whole compound library is being exposed to various biological screenings within the European Lead Factory consortium.

  9. Strategies for dereplication of natural compounds using high-resolution tandem mass spectrometry.

    Science.gov (United States)

    Kind, Tobias; Fiehn, Oliver

    2017-09-01

    Complete structural elucidation of natural products is commonly performed by nuclear magnetic resonance spectroscopy (NMR), but annotating compounds to most likely structures using high-resolution tandem mass spectrometry is a faster and feasible first step. The CASMI contest 2016 (Critical Assessment of Small Molecule Identification) provided spectra of eighteen compounds for the best manual structure identification in the natural products category. High resolution precursor and tandem mass spectra (MS/MS) were available to characterize the compounds. We used the Seven Golden Rules, Sirius2 and MS-FINDER software for determination of molecular formulas, and then we queried the formulas in different natural product databases including DNP, UNPD, ChemSpider and REAXYS to obtain molecular structures. We used different in-silico fragmentation tools including CFM-ID, CSI:FingerID and MS-FINDER to rank these compounds. Additional neutral losses and product ion peaks were manually investigated. This manual and time consuming approach allowed for the correct dereplication of thirteen of the eighteen natural products.

  10. High Carbon Use Efficiency is Not Explained by Production of Storage Compounds

    Science.gov (United States)

    Dijkstra, Paul; van Groenigen, Kees-Jan

    2015-04-01

    The efficiency with which microbes use substrate to make new microbial biomass (Carbon Use Efficiency or CUE; mol C / mol C) is an important variable in soil and ecosystem C cycling models. Estimates of CUE in soil microbial communities vary widely. It has been hypothesized that high values of CUE are associated with production of storage compounds following a sudden increases in substrate availability during CUE measurements. In that case, these high CUE values would not be representative for balanced microbial growth (i.e. the production of all compounds needed to make new microbial cells). To test this hypothesis, we added position-specific 13C-labeled glucose isotopomers in parallel incubations of a ponderosa pine and piñon-juniper soil. We compared the measured pattern of CO2 release for the six glucose C atoms with patterns of CO2 production expected for balanced growth with a low, medium, or high CUE, and with CO2 production patterns associated with production of storage compounds (glycogen, lipids, or polyhydroxybutyrate). The measured position-specific CO2 production did not match that for production of glycogen, lipids, or polyhydroxybutyrate, but agreed closely with that expected for balanced growth at high CUE and high pentose phosphate pathway activity. We conclude that soil microbial communities utilize glucose substrate for biomass growth with high CUE, and that addition of small amounts of 13C-labeled glucose tracers do not affect CUE or induce storage compounds production. We submit that the measurement of position-specific CO2 production offers a quick and easy way to test biochemically explicit hypotheses concerning microbial growth metabolism.

  11. UV excitation of single DNA and RNA strands produces high yields of exciplex states between two stacked bases

    OpenAIRE

    Takaya, Tomohisa; Su, Charlene; de La Harpe, Kimberly; Crespo-Hernández, Carlos E.; Kohler, Bern

    2008-01-01

    Excited electronic states created by UV excitation of the diribonucleoside monophosphates ApA, ApG, ApC, ApU, and CpG were studied by the femtosecond transient-absorption technique. Bleach recovery signals recorded at 252 nm show that long-lived excited states are formed in all five dinucleosides. The lifetimes of these states exceed those measured in equimolar mixtures of the constituent mononucleotides by one to two orders of magnitude, indicating that electronic coupling between proximal n...

  12. Real-time, High-resolution, In Vivo Characterization of Superficial Skin With Microscopy Using Ultraviolet Surface Excitation (MUSE).

    Science.gov (United States)

    Ho, Derek; Fereidouni, Farzad; Levenson, Richard M; Jagdeo, Jared

    2016-11-01

    Skin care products make up the largest part (36%) of the cosmetic market globally, of which the United States plays the largest role. In 2015, approximately 115 billion USD was spent globally on skin care products. Skin care products, in contradistinction to pharmaceuticals, are not strictly regulated by the FDA. A key factor for evaluation of a skin care product or topical drug is skin barrier function and effect on super cial skin. Thus, it is critical to have quantitative and qualitative methods to study the effects of skin care products on skin barrier and the super cial skin. Currently, no imaging method exists that can evaluate and track super cial skin changes visually in real-time. To report using a novel imaging modality, Microscopy using Ultraviolet Surface Excitation (MUSE), to provide real-time, high- resolution, in vivo characterization of super cial skin and moisturizing properties of topical moisturizer, and to highlight key bene ts of using MUSE to visualize the super cial skin and serve as an excellent complementary tool to current quantitative methods. The methodology of MUSE is based upon two main principles inherent to ultraviolet (UV) light and uorescent staining agents. In this study, the author's (JJ) index ngertip was imaged using the MUSE instrument without and with moisturizer. Dermatoglyphics of the fingertip consists of ridges (cristae super ciales) and grooves (sulci super ciales) proved to be straightforward to visualize at high resolution. Desquamation of superficial corneocytes and opening of an acrosyringium (the most superficial portion of eccrine ducts) were visualized in high-resolution. Post-application of a moisturizer, a uniform layer of moisturizer could be seen superficial to the corneocytes along the ridges and CONCLUSIONS: Real-time, high-resolution, in vivo characterization of super cial skin and moisturizing properties of moisturizer using MUSE is feasible. Its utility can be enhanced with downstream quantification using

  13. Universal, In Situ Transformation of Bulky Compounds into Nanoscale Catalysts by High-Temperature Pulse.

    Science.gov (United States)

    Xu, Shaomao; Chen, Yanan; Li, Yiju; Lu, Aijiang; Yao, Yonggang; Dai, Jiaqi; Wang, Yanbin; Liu, Boyang; Lacey, Steven D; Pastel, Glenn R; Kuang, Yudi; Danner, Valencia A; Jiang, Feng; Fu, Kun Kelvin; Hu, Liangbing

    2017-09-13

    The synthesis of nanoscale metal compound catalysts has attracted much research attention in the past decade. The challenges of preparation of the metal compound include the complexity of the synthesis process and difficulty of precise control of the reaction conditions. Herein, we report an in situ synthesis of nanoparticles via a high-temperature pulse method where the bulk material acts as the precursor. During the process of rapid heating and cooling, swift melting, anchoring, and recrystallization occur, resulting in the generation of high-purity nanoparticles. In our work, the cobalt boride (Co2B) nanoparticles with a diameter of 10-20 nm uniformly anchored on the reduced graphene oxide (rGO) nanosheets were successfully prepared using the high temperature pulse method. The as-prepared Co2B/rGO composite displayed remarkable electrocatalytic performance for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). We also prepared molybdenum disulfide (MoS2) and cobalt oxide (Co3O4) nanoparticles, thereby demonstrating that the high-temperature pulse is a universal method to synthesize ultrafine metal compound nanoparticles.

  14. Existing Pittsburgh Compound-B positron emission tomography thresholds are too high: statistical and pathological evaluation.

    Science.gov (United States)

    Villeneuve, Sylvia; Rabinovici, Gil D; Cohn-Sheehy, Brendan I; Madison, Cindee; Ayakta, Nagehan; Ghosh, Pia M; La Joie, Renaud; Arthur-Bentil, Samia Kate; Vogel, Jacob W; Marks, Shawn M; Lehmann, Manja; Rosen, Howard J; Reed, Bruce; Olichney, John; Boxer, Adam L; Miller, Bruce L; Borys, Ewa; Jin, Lee-Way; Huang, Eric J; Grinberg, Lea T; DeCarli, Charles; Seeley, William W; Jagust, William

    2015-07-01

    Amyloid-β, a hallmark of Alzheimer's disease, begins accumulating up to two decades before the onset of dementia, and can be detected in vivo applying amyloid-β positron emission tomography tracers such as carbon-11-labelled Pittsburgh compound-B. A variety of thresholds have been applied in the literature to define Pittsburgh compound-B positron emission tomography positivity, but the ability of these thresholds to detect early amyloid-β deposition is unknown, and validation studies comparing Pittsburgh compound-B thresholds to post-mortem amyloid burden are lacking. In this study we first derived thresholds for amyloid positron emission tomography positivity using Pittsburgh compound-B positron emission tomography in 154 cognitively normal older adults with four complementary approaches: (i) reference values from a young control group aged between 20 and 30 years; (ii) a Gaussian mixture model that assigned each subject a probability of being amyloid-β-positive or amyloid-β-negative based on Pittsburgh compound-B index uptake; (iii) a k-means cluster approach that clustered subjects into amyloid-β-positive or amyloid-β-negative based on Pittsburgh compound-B uptake in different brain regions (features); and (iv) an iterative voxel-based analysis that further explored the spatial pattern of early amyloid-β positron emission tomography signal. Next, we tested the sensitivity and specificity of the derived thresholds in 50 individuals who underwent Pittsburgh compound-B positron emission tomography during life and brain autopsy (mean time positron emission tomography to autopsy 3.1 ± 1.8 years). Amyloid at autopsy was classified using Consortium to Establish a Registry for Alzheimer's Disease (CERAD) criteria, unadjusted for age. The analytic approaches yielded low thresholds (standard uptake value ratiolow = 1.21, distribution volume ratiolow = 1.08) that represent the earliest detectable Pittsburgh compound-B signal, as well as high thresholds (standard

  15. Analysis of sulfonated compounds by ion-exchange high-performance liquid chromatography-mass spectrometry.

    Science.gov (United States)

    Socher, G; Nussbaum, R; Rissler, K; Lankmayr, E

    2001-03-30

    Ion-exchange high-performance liquid chromatography (HPIEC)-mass spectrometry (MS) was used for the analysis of different sulfonated compounds. HPIEC was performed on an aminopropyl column applying a gradient with increasing concentration of a buffer consisting of ammonium acetate-acetic acid and acetonitrile as the organic modifier. HPIEC is well suited to highly efficient separation of sulfonated compounds and furthermore, due to the volatility of ammonium acetate, the method is also appropriate for LC-MS coupling by the means of either atmospheric pressure chemical ionization or electrospray ionization. The applicability range of HPIEC-MS is demonstrated on the basis of a complex mixture of model substances consisting of sulfonated aromatics and textile dyes largely differing from each other in their structural properties.

  16. [Pain of high-throughput screening--pan assay interference compounds].

    Science.gov (United States)

    Xie, Tao; Du, Guan-hua

    2015-08-01

    High-throughput screening is a regular approach available for identitying new lead compounds for the growing validated drug targets in drug screening. However, it has also introduced a large number of peculiar molecules which interfere drug screening. Pan assay interference compounds (PAINS) interfere with the progress of drug screening in various ways, such as interfering with a biochemical assay, modifying the protein, aggregate-based inhibitors and so on. So it is of vital significance to remove them. This paper has consulted the concept, category of PAINS and reviewed the way of PAINS interfering and the countermeasures to cope with them to direct the approach of high through screening and improve the hits percent.

  17. Premotor spinal network with balanced excitation and inhibition during motor patterns has high resilience to structural division

    DEFF Research Database (Denmark)

    Petersen, Peter C; Vestergaard, Mikkel; Reveles Jensen, Kristian

    2014-01-01

    Direct measurements of synaptic inhibition (I) and excitation (E) to spinal motoneurons can provide an important insight into the organization of premotor networks. Such measurements of flexor motoneurons participating in motor patterns in turtles have recently demonstrated strong concurrent E...

  18. A High Sensitivity Biosensor to detect the presence of perfluorinated compounds in environment.

    Science.gov (United States)

    Cennamo, Nunzio; Zeni, Luigi; Tortora, Paolo; Regonesi, Maria Elena; Giusti, Alessandro; Staiano, Maria; D'Auria, Sabato; Varriale, Antonio

    2018-02-01

    A novel surface plasmon resonance (SPR) optical fiber biosensor, able to bind perfluorooctanoate and perfluorooctanesulfonate compounds, is presented. In the first step, an ad hoc antibody compound has been designed, produced and tested by ELISA, then, in the second step, the gold surface of a plastic optical fiber sensor has been derivatizated and functionalized with this new bio-receptor, able to bind target analytes with high affinity and selectivity. The experimental data have shown that the developed SPR optical fiber biosensor makes it possible to detect these compounds. One advantage of this approach stems from the possibility to monitor the perfluorinated compounds in the environment exploiting the remote sensing capability offered by the optical fibers. The measurements were performed in laboratory, also exploiting matrices mimicking the real environment. The limit of detection of the assay was 0.21ppb, a value that is lower than the maximum residue limit fixed by the European Union regulations. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. Impact of high hydrostatic pressure on non-volatile and volatile compounds of squid muscles.

    Science.gov (United States)

    Yue, Jin; Zhang, Yifeng; Jin, Yafang; Deng, Yun; Zhao, Yanyun

    2016-03-01

    The effects of high hydrostatic pressure processing (HHP at 200, 400 or 600MPa) on non-volatile and volatile compounds of squid muscles during 10-day storage at 4°C were investigated. HHP increased the concentrations of Cl(-) and volatile compounds, reduced the level of PO4(3-), but did not affect the contents of 5'-uridine monophosphate (UMP), 5'-guanosine monophosphate (GMP), 5'-inosine monophosphate (IMP), Na(+) and Ca(2+) in squids on Day 0. At 600MPa, squids had the highest levels of 5'-adenosine monophosphate, Cl(-) and lactic acid, but the lowest contents of CMP and volatile compounds on Day 10. Essential free amino acids and succinic acids were lower on Day 0 than on Day 10. HHP at 200MPa caused higher equivalent umami concentration (EUC) on Day 0, and the EUC decreased with increasing pressure on Day 10. Generally, HHP at 200MPa was beneficial for improving EUC and volatile compounds of squids. Copyright © 2015 Elsevier Ltd. All rights reserved.

  20. Microalgae as sources of high added-value compounds--a brief review of recent work.

    Science.gov (United States)

    Guedes, A Catarina; Amaro, Helena M; Malcata, F Xavier

    2011-01-01

    Microalgae have found commercial applications as natural sources of valuable macromolecules, including carotenoids, long-chain polyunsaturated fatty acids, and phycocolloids. As photoautotrophs, their simple growth requirements make them attractive for bioprocesses aimed at producing high added-value compounds that are in large demand by the pharmaceutical market. A few compounds synthesized by microalgae have indeed proven to possess anti-inflammatory, antiviral, antimicrobial, and antitumoral features; astaxanthin, a known antioxidant produced by Haematococcus pluvialis, is an illustrative example with important anti-inflammatory and antitumoral roles. From a chemical standpoint, several such compounds are polysaccharides or long chain fatty acids, where the latter can be either saturated or unsaturated. Additionally, their chemical structures are often atypical, whereas their concentrations can exceed those found in many other natural sources. The productivity and biochemical composition of microalgae depend strongly on the mode of cultivation, medium composition, and nutrient profile. Consequently, numerous efforts aimed at elucidating the practical impacts of the aforementioned parameters have been developed. This review accordingly covers the knowledge produced in the last two decades on the uses of microalgae to obtain physiologically active compounds, and on the optimization of the underlying production and purification processes. It also identifies major gaps and opportunities in this field that should be addressed or exploited in the near future. Copyright © 2011 American Institute of Chemical Engineers (AIChE).

  1. Optimization of Mechanical, Dynamical and Thermal Properties of a High Performance Tread Compound for Radial Tires

    Directory of Open Access Journals (Sweden)

    Mir Hamid Reza Ghoreishy

    2013-06-01

    Full Text Available A high performance passenger tire tread compound was optimized for its mechanical, dynamical and thermal properties. A reference compound was based on a blend of SBR and BR, sulfur and other ingredients without accelerator, carbon black and aromatic oil. The effects of CBS/TMTD and TBBS/TMTD as accelerator systems were studied with different quantities and the best accelerator system was chosen. Then, the blends of N330 and N550 carbon blacks were added in different quantities and the properties of these samples were studied to determine the best carbon black blend. Finally, the effect of different quantities of aromatic oil was investigated and the optimized quantity of aromatic oil and the final properties of tire tread compound were defined. The mechanical and dynamical tests were carried out on appropriate samples to determine tensile strength, elongation-at-break, fatigue-to-failure, abrasion resistance, hardness, resilience, dynamical-mechanical properties and temperature rise due to the heat build-up. The results showed that the compound containing 0.8 phr CBS, 0.7 phr TMTD, 40 phr N330,20 phr N550 and 15 phr aromatic oils demonstrated the best properties.

  2. High-speed Vibrational Imaging and Spectral Analysis of Lipid Bodies by Compound Raman Microscopy

    OpenAIRE

    Slipchenko, Mikhail N.; Le, Thuc T.; Chen, Hongtao; Cheng, Ji-Xin

    2009-01-01

    Cells store excess energy in the form of cytoplasmic lipid droplets. At present, it is unclear how different types of fatty acids contribute to the formation of lipid-droplets. We describe a compound Raman microscope capable of both high-speed chemical imaging and quantitative spectral analysis on the same platform. We use a picosecond laser source to perform coherent Raman scattering imaging of a biological sample and confocal Raman spectral analysis at points of interest. The potential of t...

  3. Real-time decay of a highly excited charge carrier in the one-dimensional Holstein model

    Science.gov (United States)

    Dorfner, F.; Vidmar, L.; Brockt, C.; Jeckelmann, E.; Heidrich-Meisner, F.

    2015-03-01

    We study the real-time dynamics of a highly excited charge carrier coupled to quantum phonons via a Holstein-type electron-phonon coupling. This is a prototypical example for the nonequilibrium dynamics in an interacting many-body system where excess energy is transferred from electronic to phononic degrees of freedom. We use diagonalization in a limited functional space (LFS) to study the nonequilibrium dynamics on a finite one-dimensional chain. This method agrees with exact diagonalization and the time-evolving block-decimation method, in both the relaxation regime and the long-time stationary state, and among these three methods it is the most efficient and versatile one for this problem. We perform a comprehensive analysis of the time evolution by calculating the electron, phonon and electron-phonon coupling energies, and the electronic momentum distribution function. The numerical results are compared to analytical solutions for short times, for a small hopping amplitude and for a weak electron-phonon coupling. In the latter case, the relaxation dynamics obtained from the Boltzmann equation agrees very well with the LFS data. We also study the time dependence of the eigenstates of the single-site reduced density matrix, which defines the so-called optimal phonon modes. We discuss their structure in nonequilibrium and the distribution of their weights. Our analysis shows that the structure of optimal phonon modes contains very useful information for the interpretation of the numerical data.

  4. High-efficient, bicolor-emitting GdVO{sub 4}:Dy{sup 3+} phosphor under near ultraviolet excitation

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Jinjin; Zhou, Jia [Department of Chemical Engineering, Inner Mongolia Vocational College of Chemical Engineering, Hohhot, Inner Mongolia 010070 (China); Jia, Huayu [Key Lab of Advanced Transducers and Intelligent Control System of Ministry of Education, College of Physics and Optoelectronics, Taiyuan University of Technology, Taiyuan 030024 (China); Tian, Yue, E-mail: tianyue@tyut.edu.cn [Key Lab of Advanced Transducers and Intelligent Control System of Ministry of Education, College of Physics and Optoelectronics, Taiyuan University of Technology, Taiyuan 030024 (China)

    2015-11-01

    Bicolor emitting GdVO{sub 4}:Dy{sup 3+} phosphor with short columniation-shape was prepared via a simple co-precipitation process. The optimal doping concentration for obtaining maximal luminescent intensity was confirmed to be 0.3 mol% and the electric dipole–dipole interaction is responsible for concentration quenching of Dy{sup 3+} emission in GdVO{sub 4} phosphor. In order to evaluate the luminescent performance of as-prepared phosphor, the luminescent efficiency and color coordinates were studied. The results show that luminescent efficiency of this phosphor is very high under near UV excitation and twice times higher than commercial Y{sub 2}O{sub 2}S:Eu{sup 3+} phosphor. In addition, the color coordinates for optimal Dy{sup 3+} concentration are (0.339, 0.379), which are close to equal energy point. Therefore, the GdVO{sub 4}:Dy{sup 3+} phosphor may have potential application for solid state lighting.

  5. Exploring X-ray lasing in nitrogen pinch plasma at very high and fast discharge current excitation

    Science.gov (United States)

    Barnwal, S.; Nigam, S.; Aneesh, K.; Prasad, Y. B. S. R.; Sharma, M. L.; Tripathi, P. K.; Joshi, A. S.; Naik, P. A.; Vora, H. S.; Gupta, P. D.

    2017-06-01

    The possibility to demonstrate X-ray lasing in nitrogen at 13.4 nm through recombination scheme driven by capillary discharge excitation has been explored at a high discharge current of 95 kA, with 46 ns quarter period. The emission from nitrogen pinch plasma showed a fast pulse at the instant of pinch formation, overriding the long duration Bremsstrahlung emission. The spectroscopic study revealed dominant X-ray line emissions at 2.8 and 2.1 nm, apart from various X-ray line emissions at higher wavelengths. Line emission at 2.8 nm confirms the formation of NVI charge state of nitrogen. At lower pressures, faint emission of Ly-α line at 2.4 nm indicated formation of NVII ions by further heating. The favourable role of pre-pulse in the formation of higher charge states of nitrogen was also established beyond doubt. This study provides important inputs for future experiments towards demonstration of X-ray lasing at 13.4 nm.

  6. Interactions of microalgae and other microorganisms for enhanced production of high-value compounds.

    Science.gov (United States)

    Lutzu, Giovanni Antonio; Turgut Dunford, Nurhan

    2018-03-01

    The cultivation of microalgae for the production of biomass and associated valuable compounds has gained increasing interest not only within the scientific community but also at the industrial level. Microalgae cells are capable of producing high-value compounds that are widely used in food, feed, pharmaceutical, medical, nutraceutical, cosmeceutical, and aquaculture industries. For example, lipids produced by algae can be converted to biodiesel, other fuels and bio-products. Hence, high oil content algal biomass has been regarded as a potential alternative feedstock to replace terrestrial crops for sustainable production of bio-products. It has been reported that the interaction of microalgae and other microorganisms greatly enhances the efficiency of microalgal biomass production and its chemical composition. Microalgae-bacteria interaction with an emphasis on the nature of symbiotic relationship in mutualisitc and parasitic consortia has been extensively studied. For instance, it is well documented that production of vitamins or growth promoting factors by bacteria enhances the growth of microalgae. Little attention has been paid to the consortia formed by microalgae and other microorganisms such as other microalgae strains, cyanobacteria, fungi, and yeasts. Hence, the aim of this review is to investigate the impact of the microalgae-other microorganism interactions on the production of high value compounds.

  7. Excited Delirium

    Directory of Open Access Journals (Sweden)

    Takeuchi, Asia

    2011-02-01

    Full Text Available Excited (or agitated delirium is characterized by agitation, aggression, acute distress and sudden death, often in the pre-hospital care setting. It is typically associated with the use of drugs that alter dopamine processing, hyperthermia, and, most notably, sometimes with death of the affected person in the custody of law enforcement. Subjects typically die from cardiopulmonary arrest, although the cause is debated. Unfortunately an adequate treatment plan has yet to be established, in part due to the fact that most patients die before hospital arrival. While there is still much to be discovered about the pathophysiology and treatment, it is hoped that this extensive review will provide both police and medical personnel with the information necessary to recognize and respond appropriately to excited delirium. [West J Emerg Med. 2011;12(1:77-83.

  8. Broadband and high power terahertz pulse generation beyond excitation bandwidth limitation via chi2 cascaded processes in LiNbO3.

    Science.gov (United States)

    Nagai, Masaya; Jewariya, Mukesh; Ichikawa, Yuki; Ohtake, Hideyuki; Sugiura, Toshiharu; Uehara, Yuzuru; Tanaka, Koichiro

    2009-07-06

    We proposed a novel THz generation technique beyond the limitation of the input optical pulse width, based on phase modulation via cascaded chi((2)) process. When intense THz electric field generated by optical rectification lies in electro-optic (EO) crystal, emitted THz field gives phase modulation to the optical excitation pulse. The phase modulation causes excitation pulse narrowing and consequently gives rise to the enhancement of conversion efficiency and THz wave bandwidth broadening. We experimentally realize this generation technique with high chi((2)) EO crystal LiNbO(3) and with subpicosecond pulse from Yb-doped fiber laser. It opens new concept of THz technologies.

  9. High-frequency conductivity of optically excited charge carriers in hydrogenated nanocrystalline silicon investigated by spectroscopic femtosecond pump–probe reflectivity measurements

    Energy Technology Data Exchange (ETDEWEB)

    He, Wei [University of Birmingham, School of Physics and Astronomy, Birmingham B15 2TT (United Kingdom); Yurkevich, Igor V. [Aston University, Nonlinearity and Complexity Research Group, Birmingham B4 7ET (United Kingdom); Zakar, Ammar [University of Birmingham, School of Physics and Astronomy, Birmingham B15 2TT (United Kingdom); Kaplan, Andrey, E-mail: a.kaplan.1@bham.ac.uk [University of Birmingham, School of Physics and Astronomy, Birmingham B15 2TT (United Kingdom)

    2015-10-01

    We report an investigation into the high-frequency conductivity of optically excited charge carriers far from equilibrium with the lattice. The investigated samples consist of hydrogenated nanocrystalline silicon films grown on a thin film of silicon oxide on top of a silicon substrate. For the investigation, we used an optical femtosecond pump–probe setup to measure the reflectance change of a probe beam. The pump beam ranged between 580 and 820 nm, whereas the probe wavelength spanned 770 to 810 nm. The pump fluence was fixed at 0.6 mJ/cm{sup 2}. We show that at a fixed delay time of 300 fs, the conductivity of the excited electron–hole plasma is described well by a classical conductivity model of a hot charge carrier gas found at Maxwell–Boltzmann distribution, while Fermi–Dirac statics is not suitable. This is corroborated by values retrieved from pump–probe reflectance measurements of the conductivity and its dependence on the excitation wavelength and carrier temperature. The conductivity decreases monotonically as a function of the excitation wavelength, as expected for a nondegenerate charge carrier gas. - Highlights: • We study high‐frequency conductivity of excited hydrogenated nanocrystalline silicon. • Reflectance change was measured as a function of pump and probe wavelength. • Maxwell–Boltzmann transport theory was used to retrieve the conductivity. • The conductivity decreases monotonically as a function of the pump wavelength.

  10. High-resolution spectroscopy of jet-cooled 1,1 '-diphenylethylene: electronically excited and ionic states of a prototypical cross-conjugated system

    NARCIS (Netherlands)

    Smolarek, S.; Vdovin, A.; Rijs, A.; van Walree, C.A.; Zgierski, M.Z.; Buma, W.J.

    2011-01-01

    The photophysics of a prototypical cross-conjugated π-system, 1,1′-diphenylethylene, have been studied using high-resolution resonance enhanced multiphoton ionization excitation spectroscopy and zero kinetic energy photoelectron spectroscopy, in combination with advanced ab initio calculations. We

  11. α versus non-α cluster decays of the excited compound nucleus *124Ce using various formulations of the nuclear proximity potential

    Science.gov (United States)

    Kaur, Arshdeep; Chopra, Sahila; Gupta, Raj K.

    2015-06-01

    The earlier study of *124Ce formed in the 32S+92Mo reaction at an above barrier beam energy of 150 MeV, using the pocket formula of Blocki et al. for the nuclear proximity potential in the dynamical cluster-decay model (DCM), is extended to the use of other nuclear interaction potentials derived from the Skyrme energy density functional (SEDF) based on the semiclassical extended Thomas Fermi (ETF) approach under the frozen density approximation. The Skyrme forces used are the old SII, SIII, SIV, SKa, SkM, and SLy4 and new GSkI and KDE0(v1), given for both normal and isospin-rich nuclei. It is found that the α -nucleus structure, over the non-α nucleus structure, is preferred for only two Skyrme forces, the SIII and KDE0(v1). An extended intermediate mass fragments (IMFs) window, along with the new decay region of heavy mass fragments (HMFs) and the near-symmetric and symmetric fission fragments which, on adding the complementary heavy fragments, corresponds to (A /2 )±12 mass region of the fusion-fission (ff) process, are predicted by considering cross sections of orders observed in the experiment under study. For the predicted (total) fusion cross section, the survival probability Psurv of the compound nucleus (CN) against fission is shown to be very small because of the very large predicted ff component. On the other hand, the CN formation probability PCN is found to be nearly equal to 1, and hence the decay under study is a pure CN decay for all the nuclear potentials considered, since the estimated noncompound nucleus (nCN) content is almost negligible. We have also applied the extended-Wong model of Gupta and collaborators, and find that the ℓmax values and total fusion cross sections are of the same order as for the DCM. Thus, the extended-Wong model, which describes only the total fusion cross section in terms of the barrier characteristics of the entrance channel nuclei, could be useful for initial experimental studies to be fully treated using the DCM

  12. Nonlinear δf particle simulations of collective excitations and energy-anisotropy instabilities in high-intensity bunched beams

    Directory of Open Access Journals (Sweden)

    Hong Qin

    2007-06-01

    Full Text Available Collective effects with strong coupling between the longitudinal and transverse dynamics are of fundamental importance for applications of high-intensity bunched beams. The self-consistent Vlasov-Maxwell equations are applied to high-intensity finite-length charge bunches, and a generalized δf particle simulation algorithm is developed for bunched beams with or without energy anisotropy. The nonlinear δf method exhibits minimal noise and accuracy problems in comparison with standard particle-in-cell simulations. Systematic studies are carried out under conditions corresponding to strong 3D nonlinear space-charge forces in the beam frame. For charge bunches with isotropic energy, finite bunch-length effects are clearly evident by the fact that the spectra for an infinitely long coasting beam and a nearly spherical charge bunch have strong similarities, whereas the spectra have distinctly different features when the bunch length is varied between these two limiting cases. For bunched beams with anisotropic energy, there exists no exact kinetic equilibrium because the particle dynamics do not conserve transverse energy and longitudinal energy separately. A reference state in approximate dynamic equilibrium has been constructed theoretically, and a quasi-steady state has been established in the simulations for the anisotropic case. Collective excitations relative to the reference state have been simulated using the generalized δf algorithm. In particular, the electrostatic Harris instability driven by strong energy anisotropy is investigated for a finite-length charge bunch. The observed growth rates are larger than those obtained for infinitely long coasting beams. However, the growth rate decreases for increasing bunch length to a value similar to the case of a long coasting beam. For long bunches, the instability is axially localized symmetrically relative to the beam center, and the characteristic wavelength in the longitudinal direction is

  13. Enhanced alpha-decay of the highly deformed states excited in the sup 2 sup 3 sup 5 U(d,pf) reaction

    CERN Document Server

    Krasznahorkay, A; Csige, L; Gacsi, Z; Gulyás, J; Krasznahorkay, A; Máté, Z; Sohler, D; Timar, J; Maier, H J; Thirolf, P G

    2003-01-01

    In a program aiming at studying highly deformed states in the actinides the resonance tunneling method was used for identifying super- and hyperdeformed rotational bands. Another possible signature of these highly deformed states can be their enhanced alpha-decay. The alpha-decay of the highly deformed states excited in the sup 2 sup 3 sup 5 U(d,pf) reaction was explored in Debrecen using the 103 cm isochronous cyclotron. (R.P.)

  14. Volatile Organic Compounds (VOCs in Conventional and High Performance School Buildings in the U.S.

    Directory of Open Access Journals (Sweden)

    Lexuan Zhong

    2017-01-01

    Full Text Available Exposure to volatile organic compounds (VOCs has been an indoor environmental quality (IEQ concern in schools and other buildings for many years. Newer designs, construction practices and building materials for “green” buildings and the use of “environmentally friendly” products have the promise of lowering chemical exposure. This study examines VOCs and IEQ parameters in 144 classrooms in 37 conventional and high performance elementary schools in the U.S. with the objectives of providing a comprehensive analysis and updating the literature. Tested schools were built or renovated in the past 15 years, and included comparable numbers of conventional, Energy Star, and Leadership in Energy and Environmental Design (LEED-certified buildings. Indoor and outdoor VOC samples were collected and analyzed by thermal desorption, gas chromatography and mass spectroscopy for 94 compounds. Aromatics, alkanes and terpenes were the major compound groups detected. Most VOCs had mean concentrations below 5 µg/m3, and most indoor/outdoor concentration ratios ranged from one to 10. For 16 VOCs, the within-school variance of concentrations exceeded that between schools and, overall, no major differences in VOC concentrations were found between conventional and high performance buildings. While VOC concentrations have declined from levels measured in earlier decades, opportunities remain to improve indoor air quality (IAQ by limiting emissions from building-related sources and by increasing ventilation rates.

  15. Volatile Organic Compounds (VOCs) in Conventional and High Performance School Buildings in the U.S.

    Science.gov (United States)

    Zhong, Lexuan; Su, Feng-Chiao; Batterman, Stuart

    2017-01-21

    Exposure to volatile organic compounds (VOCs) has been an indoor environmental quality (IEQ) concern in schools and other buildings for many years. Newer designs, construction practices and building materials for "green" buildings and the use of "environmentally friendly" products have the promise of lowering chemical exposure. This study examines VOCs and IEQ parameters in 144 classrooms in 37 conventional and high performance elementary schools in the U.S. with the objectives of providing a comprehensive analysis and updating the literature. Tested schools were built or renovated in the past 15 years, and included comparable numbers of conventional, Energy Star, and Leadership in Energy and Environmental Design (LEED)-certified buildings. Indoor and outdoor VOC samples were collected and analyzed by thermal desorption, gas chromatography and mass spectroscopy for 94 compounds. Aromatics, alkanes and terpenes were the major compound groups detected. Most VOCs had mean concentrations below 5 µg/m³, and most indoor/outdoor concentration ratios ranged from one to 10. For 16 VOCs, the within-school variance of concentrations exceeded that between schools and, overall, no major differences in VOC concentrations were found between conventional and high performance buildings. While VOC concentrations have declined from levels measured in earlier decades, opportunities remain to improve indoor air quality (IAQ) by limiting emissions from building-related sources and by increasing ventilation rates.

  16. Evaluation of the full evaporation technique for quantitative analysis of high boiling compounds with high affinity for apolar matrices.

    Science.gov (United States)

    van Boxtel, Niels; Wolfs, Kris; van Schepdael, Ann; Adams, Erwin

    2014-06-27

    In order to reduce inaccuracies due to possible matrix effects in conventional static headspace-gas chromatography (sHS-GC), it is standard practice to match the composition of calibration standards towards the composition of the sample to be analysed by adding blank matrix. However, the latter is not always available and in that case the full evaporation technique (FET) could be a solution. With FET a small sample volume is introduced in a HS vial and compounds of interest are completely evaporated. Hence no equilibrium between the condensed phase and vapour phase exists. Without the existence of an equilibrium, matrix effects are less likely to occur. Another issue often encountered with sHS-sampling is that low vapour pressure compounds with a high affinity for the dilution medium show a limited sensitivity. FET has proven to be an appropriate solution to address this problem too. In this work, the applicability of FET for the quantitative analysis of high boiling compounds in different complex apolar matrices is examined. Data show that FET is an excellent tool to overcome matrix effects often encountered with conventional sHS analysis. The tested method shows excellent accuracy with recovery values around 100% as well as repeatability with RSD values around 1% for the quantification of high boiling compounds (bp>200°C) such as camphor, menthol, methyl salicylate and ethyl salicylate in various matrices. LOQ values were found to be around 0.3μg per vial. Following validation of the technique, several topical pharmaceutical formulations like ThermoCream(®), Reflexspray(®), Vicks Vaporub(®) and Radosalil(®) were examined. For the latter, a comparison has been made with a sHS-method described in literature. Copyright © 2014 Elsevier B.V. All rights reserved.

  17. High field magnetization of R sub 2 T sub 17 compounds

    Energy Technology Data Exchange (ETDEWEB)

    Franse, J.J.M.; Kayzel, F.E.; Marquina, C.; Radwanski, R.J.; Verhoef, R. (Van der Waals-Zeeman Lab., Univ. Amsterdam (Netherlands))

    1992-04-03

    A summary is presented of high field magnetization studies on the R{sub 2}T{sub 17} compounds (R = rare earth, T = Fe, Co or Ni). The different types of transitions that have been observed in magnetization studies on single-crystal samples along different crystallographic directions are mentioned. By analysing the transition fields, valuable information is obtained either on the strength of the R-T coupling or on the crystal field interactions of the rare earth ions. In addition, experiments are reported on powdered samples that are free to rotate in the applied magnetic field. This experimental technique provides a rather simple experimental approach to the intersublattice coupling in ferrimagnetic R-T compounds. (orig.).

  18. In situ imaging and proteome profiling indicate andrographolide is a highly promiscuous compound

    Science.gov (United States)

    Li, Lin; Wijaya, Hadhi; Samanta, Sanjay; Lam, Yulin; Yao, Shao Q.

    2015-06-01

    Natural products represent an enormous source of pharmacologically useful compounds, and are often used as the starting point in modern drug discovery. Many biologically interesting natural products are however not being pursued as potential drug candidates, partly due to a lack of well-defined mechanism-of-action. Traditional in vitro methods for target identification of natural products based on affinity protein enrichment from crude cellular lysates cannot faithfully recapitulate protein-drug interactions in living cells. Reported herein are dual-purpose probes inspired by the natural product andrographolide, capable of both reaction-based, real-time bioimaging and in situ proteome profiling/target identification in live mammalian cells. Our results confirm that andrographolide is a highly promiscuous compound and engaged in covalent interactions with numerous previously unknown cellular targets in cell type-specific manner. We caution its potential therapeutic effects should be further investigated in detail.

  19. Method and apparatus for transport, introduction, atomization and excitation of emission spectrum for quantitative analysis of high temperature gas sample streams containing vapor and particulates without degradation of sample stream temperature

    Science.gov (United States)

    Eckels, David E.; Hass, William J.

    1989-05-30

    A sample transport, sample introduction, and flame excitation system for spectrometric analysis of high temperature gas streams which eliminates degradation of the sample stream by condensation losses.

  20. Origin and diagenetic transformations of C25 and C30 highly branched isoprenoid sulphur compounds : further evidence for the formation of organic sulphur compounds during early diagenesis

    NARCIS (Netherlands)

    Sinninghe Damsté, J.S.; Kohnen, M.E.L.; Rullkotter, J.; Haven, H.L. ten

    1990-01-01

    A number of C₂₅ and C₃₀ highly branched isoprenoid (HBI) sulphur compounds (e. g. , thiolanes, l-oxo-thiolanes, thiophenes, and benzo[b]thiophenes) with 2, 6, 10, 14-tetramethyl-7-(3-methylpentyl) pentadecane and 2, 6, 10, 14, 18-pentamethyl-7-(3-methylpentyl)nonadecane carbon skeletons

  1. De-excitation of high spin isomers in the sup 1 sup 9 sup 1 Pb isotope

    CERN Document Server

    Lagrange, J M; Dionisio, J S; Vieu, C; Vanhorenbeeck, J

    1999-01-01

    The sup 1 sup 9 sup 1 Pb isotope, produced through different A (b,xn) sup 1 sup 9 sup 1 Pb reactions, where b stands for nuclei such as sup 1 sup 6 O, sup 2 sup 0 Ne, and sup 3 sup 1 P, is studied. The half-life of some excited levels being greater than 10 ns, the recoil catcher method is suitable to look into the de-excitation gamma ray and conversion electron spectra of these states. The conversion coefficients are deduced and e sup - -gamma and gamma-gamma coincidence measurements lead to the part of the level scheme de-exciting these isomers. This level scheme is compared to theoretical predictions obtained through a microscopic calculation in a three quasi-particle approximation, using a surface delta interaction with a reduced pairing component. The conclusions are very similar to those previously obtained for sup 1 sup 9 sup 3 Pb.

  2. Control of synchronization and spiking regularity by heterogenous aperiodic high-frequency signal in coupled excitable systems

    Science.gov (United States)

    Qin, Ying-Mei; Wang, Jiang; Men, Cong; Chan, Wai-Lok; Wei, Xi-Le; Deng, Bin

    2013-10-01

    This paper investigates the synchronization and spiking regularity induced by heterogenous aperiodic (HA) signal in coupled excitable FitzHugh-Nagumo systems. We found new nontrivial effects of couplings and HA signals on the firing regularity and synchronization in coupled excitable systems without a periodic external driving. The phenomenon is similar to array enhanced coherence resonance (AECR), and it is shown that AECR-type behavior is not limited to systems driven by noises. It implies that the HA signal may be beneficial for the brain function, which is similar to the role of noise. Furthermore, it is also found that the mean frequencies, the amplitudes and the heterogeneity of HA stimuli can serve as control parameters in modulating spiking regularity and synchronization in coupled excitable systems. These results may be significant for the control of the synchronized firing of the brain in neural diseases like epilepsy.

  3. Nuclear structure effects of the nuclei {sup 152,154,156}Dy at high excitation energy and large angular momentum

    Energy Technology Data Exchange (ETDEWEB)

    Martin, V. [Analisis Numerico, Facultad de Informatica, Universidad Politecnica de Madrid, E-28660 Madrid (Spain); Egido, J.L. [Departamento de Fisica Teorica C-XI, Universidad Autonoma de Madrid, E-28049 Madrid (Spain)

    1995-06-01

    Using the finite-temperature Hartree-Fock-Bogoliubov formalism we analyze the properties of the nuclei {sup 152,154,156}Dy at the quasicontinuum region from {ital I}=0{h_bar} to 70{h_bar} and excitation energy up to approximately 16 MeV. We discuss energy gaps, shapes, moments of inertia, and entropy among others. The role of shape fluctuations is studied in the frame of classical statistics and we find large effects on several observables. A very rich structure is found in terms of excitation energy and angular momentum.

  4. Highly fluorinated 2,2'-biphenols and related compounds: relationship between substitution pattern and herbicidal activity.

    Science.gov (United States)

    Francke, Robert; Reingruber, Rüdiger; Schollmeyer, Dieter; Waldvogel, Siegfried R

    2013-05-22

    A broad range of halogenated 2,2'-biphenols was tested for applicability as crop protection agents. The activity of these compounds toward four typical pest plants was observed after application by spraying of diluted solutions. Despite their rather simple structure, it was found that the studied compounds reveal a surprisingly high herbicidal impact. To gain a better understanding of the structure-activity relationship, specific sites of the molecule were chemically modified and the core structures thus gradually changed. The influence of the substitution pattern on the herbicidal properties is discussed, and conclusions on the active site of the biphenol structure are drawn. It was observed that type and position of the halogen substituents have a significant influence on the activity of the core structure. The hydroxy functionalities play a crucial role for the effectiveness of the tested compounds. Because the blocking of the hydroxy moiety leads to dramatically deteriorated performances, the presence of these functionalities on the aromatic ring seems to be indispensable.

  5. Electronic structures of Si- and Te-doped CoSb3 compounds under high pressures

    Science.gov (United States)

    Kobayashi, Kazuaki; Ullah Khan, Atta; Mori, Takao

    2017-05-01

    The electronic and lattice properties of various Si- and Te-doped CoSb3 compounds under hydrostatic compression conditions were calculated by using the total energy pseudopotential method. The calculated compositions of Si- and Te-doped CoSb3 compounds are Co8Sb22Si2, Co8Sb22Te2, Co8Sb21Si2Te1, and Co8Sb21Si1Te2. The applied pressure P values are 0 (ambient), 10, and 100 GPa. The densities of states (DOSs) of Si- and Te-doped CoSb3 compounds under P = 0, 10, and 100 GPa are investigated to compare them with each other. Their DOS shapes and Fermi level positions vary under pressure. In particular, the variations in DOS shape between P = 10 and 100 GPa in Co8Sb21Si2Te1 and Co8Sb21Si1Te2 are markedly large, although they are relatively small between P = 0 and 10 GPa. The gap states of Co8Sb21Si2Te1 and Co8Sb21Si1Te2 around the Fermi level disappear under P = 100 GPa. Seebeck coefficients do not increase under high pressures.

  6. Quantitative Determination of Compounds from Akebia quinata by High-Performance Liquid Chromatography

    Energy Technology Data Exchange (ETDEWEB)

    Yen, Nguyen; Thu, Nguyen; Zhao, Bing Tian; Woo, Mi Hee; Min, Byung Sun [Catholic Univ. of Daegu, Gyeongsan (Korea, Republic of); Lee, Jae Hyun [Dongguk Univ., Yongin (Korea, Republic of); Kim, Jeong Ah [Kyungpook National Univ., Daegu (Korea, Republic of); Son, Jong Keun [Yeungnam Univ., Gyeongsan (Korea, Republic of); Choi, Jae Sui [Pukyung National Univ., Busan (Korea, Republic of); Woo, Eun Rhan [Chosun Univ., Gwangju (Korea, Republic of)

    2014-07-15

    To provide the scientific corroboration of the traditional uses of Akebia quinata (Thunb.) Decne., a detailed analytical examination of A. quinata stems was carried out using a reversed-phase high performance liquid chromatography (RP-HPLC) method coupled to photodiode array detector (PDA) for the simultaneous determination of four phenolic substances; cuneataside D, 2-(3,4-dihydroxyphenyl)ethyl-O-β-D-glucopyranoside, 3-caffeoylquinic acid and calceolarioside B. Particular attention was focused on the main compound, 3-caffeoylquinic acid, which has a range of biological functions. In addition, 2-(3,4-dihydroxyphenyl)ethyl-O-β-D-glucopyranoside was considered as a discernible marker of A. quinata from its easy confuse plants. The contents of compounds 2 and 3 ranged from 0.72 to 2.68 mg/g and from 1.66 to 5.64 mg/g, respectively. The validation data indicated that this HPLC/PDA assay was used successfully to quantify the four phenolic compounds in A. quinata from different locations using relatively simple conditions and procedures. The pattern-recognition analysis data from 53 samples classified them into two groups, allowing discrimination between A. quinata and comparable herbs. The results suggest that the established HPLC/PDA method is suitable for quantitation and pattern-recognition analyses for a quality evaluation of this medicinal herb.

  7. Utilization of Volatile Fatty Acids from Microalgae for the Production of High Added Value Compounds

    Directory of Open Access Journals (Sweden)

    Angelina Chalima

    2017-10-01

    Full Text Available Volatile Fatty Acids (VFA are small organic compounds that have attracted much attention lately, due to their use as a carbon source for microorganisms involved in the production of bioactive compounds, biodegradable materials and energy. Low cost production of VFA from different types of waste streams can occur via dark fermentation, offering a promising approach for the production of biofuels and biochemicals with simultaneous reduction of waste volume. VFA can be subsequently utilized in fermentation processes and efficiently transformed into bioactive compounds that can be used in the food and nutraceutical industry for the development of functional foods with scientifically sustained claims. Microalgae are oleaginous microorganisms that are able to grow in heterotrophic cultures supported by VFA as a carbon source and accumulate high amounts of valuable products, such as omega-3 fatty acids and exopolysaccharides. This article reviews the different types of waste streams in concert with their potential to produce VFA, the possible factors that affect the VFA production process and the utilization of the resulting VFA in microalgae fermentation processes. The biology of VFA utilization, the potential products and the downstream processes are discussed in detail.

  8. Hydrodynamics of Highly Viscous Flow past a Compound Particle: Analytical Solution

    Directory of Open Access Journals (Sweden)

    Longhua Zhao

    2016-11-01

    Full Text Available To investigate the translation of a compound particle in a highly viscous, incompressible fluid, we carry out an analytic study on flow past a fixed spherical compound particle. The spherical object is considered to have a rigid kernel covered with a fluid coating. The fluid within the coating has a different viscosity from that of the surrounding fluid and is immiscible with the surrounding fluid. The inertia effect is negligible for flows both inside the coating and outside the object. Thus, flows are in the Stokes regime. Taking advantage of the symmetry properties, we reduce the problem in two dimensions and derive the explicit formulae of the stream function in the polar coordinates. The no-slip boundary condition for the rigid kernel and the no interfacial mass transfer and force equilibrium conditions at fluid interfaces are considered. Two extreme cases: the uniform flow past a sphere and the uniform flow past a fluid drop, are reviewed. Then, for the fluid coating the spherical object, we derive the stream functions and investigate the flow field by the contour plots of stream functions. Contours of stream functions show circulation within the fluid coating. Additionally, we compare the drag and the terminal velocity of the object with a rigid sphere or a fluid droplet. Moreover, the extended results regarding the analytical solution for a compound particle with a rigid kernel and multiple layers of fluid coating are reported.

  9. Synthesis and biological evaluation of the natural product komaroviquinone and related compounds aiming at a potential therapeutic lead compound for high-risk multiple myeloma.

    Science.gov (United States)

    Suto, Yutaka; Sato, Mariko; Fujimori, Kota; Kitabatake, Shotaro; Okayama, Mikio; Ichikawa, Daiju; Matsushita, Maiko; Yamagiwa, Noriyuki; Iwasaki, Genji; Kiuchi, Fumiyuki; Hattori, Yutaka

    2017-10-01

    Alternatives of treatments for multiple myeloma (MM) have become increasingly available with the advent of new drugs such as proteasome inhibitors, thalidomide derivatives, histone deacetylase inhibitors, and antibody drugs. However, high-risk MM cases that are refractory to novel drugs remain, and further optimization of chemotherapeutics is urgently needed. We had achieved asymmetric total synthesis of komaroviquinone, which is a natural product from the plant Dracocephalum komarovi. Similar to several leading antitumor agents that have been developed from natural compounds, we describe the antitumor activity and cytotoxicity of komaroviquinone and related compounds in bone marrow cells. Our data suggested that komaroviquinone-related agents have potential as starting compounds for anticancer drug development. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. Improved high-performance liquid chromatographic determination of guanidino compounds by precolumn dervatization with ninhydrin and fluorescence detection.

    Science.gov (United States)

    Buchberger, Wolfgang; Ferdig, Matthias

    2004-11-01

    Ninhydrin has been investigated as a pre-column derivatization reagent for guanidino compounds. The reaction takes place under strongly alkaline conditions, followed by a second step at low pH and elevated temperature. This procedure yields derivatives with favourable fluorescence properties (excitation at 390 nm, emission at 470 nm). Amino acids do not react with ninhydrin under these conditions so that the method can easily be used for biological samples. Reversed-phase HPLC separations of the derivatives of several representative guanidino compounds in human blood have been achieved with gradients consisting of aqueous formic acid and methanol. Fluorescence detection yields quantification limits of about 20 microg L(-1). Hyphenation with electrospray mass spectrometry has been used to confirm the identity of the derivatives.

  11. New high pressure polymorph of the CaSi2 compound with Laves structure

    Science.gov (United States)

    Bouderba, Hichem; Beddiaf, Raouf

    2014-05-01

    In the present work, based on first-principles calculations, we show that it is possible to obtain a new high pressure polymorph of the CaSi2 compound with a Laves structure. It corresponds to the MgCu2-type (C15) which is one of the three most important Laves phases. We also show that the two other structures, MgNi2- and MgZn2-types are very competitive energetically and are possible candidates for finite temperature investigations.

  12. Synthesis of high refractive spiro heterocyclic derivatives through thioacetalization of multi-carbonyl compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ye, Jim Young; Maheswara, Muchchintala; Do, Jung Yun [Pusan National Univ., Busan (Korea, Republic of)

    2012-04-15

    Preparation of several new spirocyclic mercaptol derivatives is described. Thiol protection on multi-carbonyl compounds allows of high sulfur content necessary to induce high refractive index. Condensation of 1,3-dimercapto-2-propanol and cyclohexanone followed by successive oxidation and thioacetalization affords a dispiro cycle with four sulfurs. Selective S,S-protection of cyclohexane-1,4-dione is achieved with 1,3-dimercapto-2-propanol and 2,3-dimercapto-1-propanol to provide dispiro cycles with four sulfurs. Olefineoxidation of norbornene gives a useful dialdehyde intermediate which is transformed to 1,3-dithiolane for a linearly-bound-cyclic molecule. Refractive index of linearly-bound-cycles was below 1.60 and dispiro cycles exhibited high refractive index of 1.57-1.69.

  13. Compound-specific hydrogen isotope analysis of heteroatom-bearing compounds via gas chromatography-chromium-based high-temperature conversion (Cr/HTC)-isotope ratio mass spectrometry.

    Science.gov (United States)

    Renpenning, Julian; Kümmel, Steffen; Hitzfeld, Kristina L; Schimmelmann, Arndt; Gehre, Matthias

    2015-09-15

    The traditional high-temperature conversion (HTC) approach toward compound-specific stable isotope analysis (CSIA) of hydrogen for heteroatom-bearing (i.e., N, Cl, S) compounds has been afflicted by fractionation bias due to formation of byproducts HCN, HCl, and H2S. This study presents a chromium-based high-temperature conversion (Cr/HTC) approach for organic compounds containing nitrogen, chlorine, and sulfur. Following peak separation along a gas chromatographic (GC) column, the use of thermally stable ceramic Cr/HTC reactors at 1100-1500 °C and chemical sequestration of N, Cl, and S by chromium result in quantitative conversion of compound-specific organic hydrogen to H2 analyte gas. The overall hydrogen isotope analysis via GC-Cr/HTC-isotope ratio mass spectrometry (IRMS) achieved a precision of better than ± 5 mUr along the VSMOW-SLAP scale. The accuracy of GC-Cr/HTC-IRMS was validated with organic reference materials (RM) in comparison with online EA-Cr/HTC-IRMS and offline dual-inlet IRMS. The utility and reliability of the GC-Cr/HTC-IRMS system were documented during the routine measurement of more than 500 heteroatom-bearing organic samples spanning a δ(2)H range of -181 mUr to 629 mUr.

  14. Global stabilization control of high-energy responses of a nonlinear wideband piezoelectric vibration energy harvester using a self-excitation circuit

    Science.gov (United States)

    Kitamura, Norihiko; Masuda, Arata

    2017-04-01

    This paper presents a resonance-type vibration energy harvester using a nonlinear oscillator with self-excitation circuit. The bandwidth of the resonance peak and the performance of the power generation at the resonance frequency are trade- offs for the conventional linear vibration energy harvester. A nonlinear oscillator can expand the resonance frequency band to generate larger electric power in a wider frequency range. However, it is difficult for the harmonically excited nonlinear vibration energy harvester to maintain the highest-energy response under the presence of disturbances since the nonlinear oscillator can have multiple stable steady-state solutions in the resonance band. In order to provide the global stability to the highest-energy solution, we introduce a self-excitation circuit which can destabilize other unexpected lower-energy solutions and entrain the oscillator only in the highest-energy solution. Numerical and experimental studies show that the proposed self-excitation control can provide the global stability to the highest-solution and maintain the high performance of the power generation in the widened resonance frequency band.

  15. High-efficient thermoelectric materials: The case of orthorhombic IV-VI compounds.

    Science.gov (United States)

    Ding, Guangqian; Gao, Guoying; Yao, Kailun

    2015-06-05

    Improving the thermoelectric efficiency is one of the greatest challenges in materials science. The recent discovery of excellent thermoelectric performance in simple orthorhombic SnSe crystal offers new promise in this prospect [Zhao et al. Nature 508, 373 (2014)]. By calculating the thermoelectric properties of orthorhombic IV-VI compounds GeS,GeSe,SnS, and SnSe based on the first-principles combined with the Boltzmann transport theory, we show that the Seebeck coefficient, electrical conductivity, and thermal conductivity of orthorhombic SnSe are in agreement with the recent experiment. Importantly, GeS, GeSe, and SnS exhibit comparative thermoelectric performance compared to SnSe. Especially, the Seebeck coefficients of GeS, GeSe, and SnS are even larger than that of SnSe under the studied carrier concentration and temperature region. We also use the Cahill's model to estimate the lattice thermal conductivities at the room temperature. The large Seebeck coefficients, high power factors, and low thermal conductivities make these four orthorhombic IV-VI compounds promising candidates for high-efficient thermoelectric materials.

  16. [Design of high-efficiency double compound parabolic concentrator system in near infrared noninvasive biochemical analysis].

    Science.gov (United States)

    Gao, Jing; Lu, Qi-Peng; Peng, Zhong-Qi; Ding, Hai-Quan; Gao, Hong-Zhi

    2013-05-01

    High signal-to-noise ratio (SNR) of system is necessary to obtain accurate blood components in near infrared noninvasive biochemical analysis. In order to improve SNR of analytical system, high-efficiency double compound parabolic concentrator (DCPC) system was researched, which was aimed at increasing light utilization efficiency. Firstly, with the request of collection efficiency in near infrared noninvasive biochemical analysis, the characteristic of emergent rays through compound parabolic concentrator (CPC) was analyzed. Then the maximum focusing angle range of the first stage CPC was determined. Secondly, the light utilization efficiency of truncated type was compared with standard DCPC, thus the best structure parameters of DCPC system were optimized. Lastly, combined with optical parameters of skin tissue, calculations were operated when incident wavelength is 1 000 nm. The light utilization efficiency of DCPC system, CPC-focusing mirror system, and non-optical collecting system was calculated. The results show that the light utilization efficiency of the three optical systems is 1.46%, 0.84% and 0.26% respectively. So DCPC system enhances collecting ability for human diffuse reflection light, and helps improve SNR of noninvasive biochemical analysis system and overall analysis accuracy effectively.

  17. Enantioselective high performance liquid chromatography and supercritical fluid chromatography separation of spirocyclic terpenoid flavor compounds.

    Science.gov (United States)

    Schaffrath, Mathias; Weidmann, Verena; Maison, Wolfgang

    2014-10-10

    Chiral spirocyclic terpenoids are abundant natural flavors with significant impact particularly on the food industry. Chromatographic methods for analytical and preparative separation of these compounds are therefore of high interest to natural product chemists in academia and industry. Gas chromatography on chiral stationary phases is currently the standard method for the separation of volatile terpenoids, limiting the scale to analytical quantities. We report herein high performance liquid chromatography (HPLC) and supercritical fluid chromatography (SFC) protocols for the chiral separation of several racemic spirocyclic terpenoids such as the important flavors theaspirane and vitispirane. A screening of mobile phases and 16 commercially available chiral stationary phases (CSPs) largely based on polysaccharides led to identification of protocols for the separation of all terpenoids tested. SFC methods were found to be particularly useful for the separation of these spirocyclic flavors due to the volatility and low polarity of the compounds. The reported chiral HPLC and SFC protocols are scalable alternatives to gas chromatographic separations of volatile terpenoid flavors. Copyright © 2014 Elsevier B.V. All rights reserved.

  18. Preparative Separation of Phenolic Compounds from Halimodendron halodendron by High-Speed Counter-Current Chromatography

    Directory of Open Access Journals (Sweden)

    Zhu Yu

    2010-08-01

    Full Text Available Three phenolic compounds, p-hydroxybenzoic acid (1, isorhamnetin-3-O-β-D-rutinoside (2, and 3,3'-di-O-methylquercetin (5, along with a phenolic mixture were successfully separated from the ethyl acetate crude extract of Halimodendron halodendron by high-speed counter-current chromatography (HSCCC with chloroform-methanol-water-acetic acid (4:3:2:0.05, v/v as the two-phase solvent system. The phenolic mixture from HSCCC was further separated by preparative HPLC and purified by Sephadex LH-20 to afford quercetin (3 and 3-O-methylquercetin (4. Seven hundred mg of ethyl acetate crude extract was separated by HSCCC to obtain six fractions which were then analyzed by high performance liquid chromatography (HPLC. The HSCCC separation obtained total of 80 mg of the mixture of quercetin (3 and 3-O-methylquercetin (4 (26.43% and 71.89%, respectively in fraction 2, 14 mg of 3,3'-di-O-methylquercetin (5 at 95.14% of purity in fraction 3, 15 mg of p-hydroxybenzoic acid (1 at 92.83% of purity in fraction 5, 12 mg of isorhamnetin-3-O-β-D-rutinoside (2 at 97.99% of purity in fraction 6. This is the first time these phenolic compounds have been obtained from H. halodendron, and their chemical structures identified by means of physicochemical and spectrometric analysis.

  19. Preparation of magnetic rubber with high mechanical properties by latex compounding method

    Energy Technology Data Exchange (ETDEWEB)

    Hou, Chunlin [Shanxi Province Key Laboratory of Functional Nanocomposites, North University of China, Taiyuan 030051 (China); College of Materials Science and Engineering, North University of China, Taiyuan 030051 (China); Gao, Li; Yu, Hailing [Shanxi Province Key Laboratory of Functional Nanocomposites, North University of China, Taiyuan 030051 (China); Sun, Youyi, E-mail: syyi@pku.edu.cn [Shanxi Province Key Laboratory of Functional Nanocomposites, North University of China, Taiyuan 030051 (China); College of Materials Science and Engineering, North University of China, Taiyuan 030051 (China); Yao, Junru; Zhao, Guizhe [Shanxi Province Key Laboratory of Functional Nanocomposites, North University of China, Taiyuan 030051 (China); Liu, Yaqing, E-mail: lyqzgz2010@163.com [Shanxi Province Key Laboratory of Functional Nanocomposites, North University of China, Taiyuan 030051 (China); College of Materials Science and Engineering, North University of China, Taiyuan 030051 (China)

    2016-06-01

    the magnetic rubber based on Fe{sub 3}O{sub 4} nanoparticles and nature rubber were prepared by latex compounding method, in which stable Fe{sub 3}O{sub 4} aqueous solutions were mixed with natural rubber latex and additives. This process was fast, versatile, reliable, safe, environmentally friendly and inexpensive. What’s more, it was found that the magnetic and mechanical properties of magnetic rubber increased together with increase in doping content of Fe{sub 3}O{sub 4} nanoparticles. Especially, it was demonstrated that the tensile strength (25.0 Mpa) of magnetic rubber was improved to be 478.0% comparing to neat natural rubber (5.2 Mpa), which was 5 times higher than maximal value reported in previous work. At the same time, the magnetic rubber revealed better thermal stability and solvent resistance comparing to the neat natural rubber, too. The work dose not only provides a new way to environmentally friendly preparation of magnetic rubber at low temperature, but also improve the mechanical and magnetic properties of magnetic rubber applied in industry. - Highlights: • The magnetic rubber was prepared by a latex compounding method. • The magnetic rubber exhibited high mechanical properties. • The mechanism of high mechanical properties was investigated by the NMR.

  20. Yeast-Based High-Throughput Screens to Identify Novel Compounds Active against Brugia malayi.

    Directory of Open Access Journals (Sweden)

    Elizabeth Bilsland

    2016-01-01

    Full Text Available Lymphatic filariasis is caused by the parasitic worms Wuchereria bancrofti, Brugia malayi or B. timori, which are transmitted via the bites from infected mosquitoes. Once in the human body, the parasites develop into adult worms in the lymphatic vessels, causing severe damage and swelling of the affected tissues. According to the World Health Organization, over 1.2 billion people in 58 countries are at risk of contracting lymphatic filariasis. Very few drugs are available to treat patients infected with these parasites, and these have low efficacy against the adult stages of the worms, which can live for 7-15 years in the human body. The requirement for annual treatment increases the risk of drug-resistant worms emerging, making it imperative to develop new drugs against these devastating diseases.We have developed a yeast-based, high-throughput screening system whereby essential yeast genes are replaced with their filarial or human counterparts. These strains are labeled with different fluorescent proteins to allow the simultaneous monitoring of strains with parasite or human genes in competition, and hence the identification of compounds that inhibit the parasite target without affecting its human ortholog. We constructed yeast strains expressing eight different Brugia malayi drug targets (as well as seven of their human counterparts, and performed medium-throughput drug screens for compounds that specifically inhibit the parasite enzymes. Using the Malaria Box collection (400 compounds, we identified nine filarial specific inhibitors and confirmed the antifilarial activity of five of these using in vitro assays against Brugia pahangi.We were able to functionally complement yeast deletions with eight different Brugia malayi enzymes that represent potential drug targets. We demonstrated that our yeast-based screening platform is efficient in identifying compounds that can discriminate between human and filarial enzymes. Hence, we are confident

  1. Yeast-Based High-Throughput Screens to Identify Novel Compounds Active against Brugia malayi.

    Science.gov (United States)

    Bilsland, Elizabeth; Bean, Daniel M; Devaney, Eileen; Oliver, Stephen G

    2016-01-01

    Lymphatic filariasis is caused by the parasitic worms Wuchereria bancrofti, Brugia malayi or B. timori, which are transmitted via the bites from infected mosquitoes. Once in the human body, the parasites develop into adult worms in the lymphatic vessels, causing severe damage and swelling of the affected tissues. According to the World Health Organization, over 1.2 billion people in 58 countries are at risk of contracting lymphatic filariasis. Very few drugs are available to treat patients infected with these parasites, and these have low efficacy against the adult stages of the worms, which can live for 7-15 years in the human body. The requirement for annual treatment increases the risk of drug-resistant worms emerging, making it imperative to develop new drugs against these devastating diseases. We have developed a yeast-based, high-throughput screening system whereby essential yeast genes are replaced with their filarial or human counterparts. These strains are labeled with different fluorescent proteins to allow the simultaneous monitoring of strains with parasite or human genes in competition, and hence the identification of compounds that inhibit the parasite target without affecting its human ortholog. We constructed yeast strains expressing eight different Brugia malayi drug targets (as well as seven of their human counterparts), and performed medium-throughput drug screens for compounds that specifically inhibit the parasite enzymes. Using the Malaria Box collection (400 compounds), we identified nine filarial specific inhibitors and confirmed the antifilarial activity of five of these using in vitro assays against Brugia pahangi. We were able to functionally complement yeast deletions with eight different Brugia malayi enzymes that represent potential drug targets. We demonstrated that our yeast-based screening platform is efficient in identifying compounds that can discriminate between human and filarial enzymes. Hence, we are confident that we can

  2. Post-high-throughput screening analysis: an empirical compound prioritization scheme.

    Science.gov (United States)

    Oprea, Tudor I; Bologa, Cristian G; Edwards, Bruce S; Prossnitz, Eric R; Sklar, Larry A

    2005-08-01

    An empirical scheme to evaluate and prioritize screening hits from high-throughput screening (HTS) is proposed. Negative scores are given when chemotypes found in the HTS hits are present in annotated databases such as MDDR and WOMBAT or for testing positive in toxicity-related experiments reported in TOXNET. Positive scores were given for higher measured biological activities, for testing negative in toxicity-related literature, and for good overlap when profiled against drug-related properties. Particular emphasis is placed on estimating aqueous solubility to prioritize in vivo experiments. This empirical scheme is given as an illustration to assist the decision-making process in selecting chemotypes and individual compounds for further experimentation, when confronted with multiple hits from high-throughput experiments. The decision-making process is discussed for a set of G-protein coupled receptor antagonists and validated on a literature example for dihydrofolate reductase inhibition.

  3. The excitation and detection of a leaky surface electromagnetic wave on a high-index dielectric grating in a prism-coupler geometry

    Science.gov (United States)

    Simonsen, I.; Maradudin, A. A.

    2017-01-01

    A periodically corrugated interface between vacuum and a high-index dielectric medium supports a p-polarized leaky surface electromagnetic wave whose sagittal plane is perpendicular to the generators of the interface. This wave is bound to the surface in the vacuum region, but radiates into the high-index dielectric medium. We study the excitation of this wave by p-polarized light incident from a prism on whose planar base the highindex dielectric medium in the form of a film is bonded. The unilluminated surface of the film is periodically corrugated, and is in contact with vacuum. Peaks and dips in the dependence of several low-order diffraction efficiencies on the angle of incidence (Wood anomalies) are the signatures of the excitation of the surface wave.

  4. Effects of impurities and vortices on the low-energy spin excitations in high-Tc materials

    DEFF Research Database (Denmark)

    Andersen, Brian Møller; Graser, S.; Schmid, M.

    2011-01-01

    a quasi-long range ordered state. When correlations are sufficiently strong, disorder is unimportant for the generation of static magnetism but plays an additional role of pinning disordered stripe configurations. We calculate the spin excitations in a disordered spin-density wave phase, and show how...... disorder and/or applied magnetic fields lead to a slowing down of the dynamical spin fluctuations in agreement with neutron scattering and muon spin rotation (mSR) experiments....

  5. PEM fuel cells with injection moulded bipolar plates of highly filled graphite compounds; PEM-Brennstoffzellen mit spritzgegossenen Bipolarplatten aus hochgefuelltem Graphit-Compound

    Energy Technology Data Exchange (ETDEWEB)

    Kreuz, Can

    2008-04-11

    This work concerns with the injection moulding of highly filled graphite compounds to bipolar plates for PEM fuel cells in a power output range between 100 - 500 Watts. A particular focus is laid on the combination of the three multidisciplinary scopes like material development, production technology and component development / design. The results of the work are specified by the process-oriented characterisation of the developed and manufactured bipolar plates as well as their application in a functioning fuel cell. (orig.)

  6. Scalable implementations of accurate excited-state coupled cluster theories: application of high-level methods to porphyrin based systems

    Energy Technology Data Exchange (ETDEWEB)

    Kowalski, Karol; Krishnamoorthy, Sriram; Olson, Ryan M.; Tipparaju, Vinod; Apra, Edoardo

    2011-11-30

    The development of reliable tools for excited-state simulations is emerging as an extremely powerful computational chemistry tool for understanding complex processes in the broad class of light harvesting systems and optoelectronic devices. Over the last years we have been developing equation of motion coupled cluster (EOMCC) methods capable of tackling these problems. In this paper we discuss the parallel performance of EOMCC codes which provide accurate description of the excited-state correlation effects. Two aspects are discuss in details: (1) a new algorithm for the iterative EOMCC methods based on the novel task scheduling algorithms, and (2) parallel algorithms for the non-iterative methods describing the effect of triply excited configurations. We demonstrate that the most computationally intensive non-iterative part can take advantage of 210,000 cores of the Cray XT5 system at OLCF. In particular, we demonstrate the importance of non-iterative many-body methods for achieving experimental level of accuracy for several porphyrin-based system.

  7. Effects of Molecular Stresses on Energy Transfer Pathways in Opto- and Electro-Excited Conjugated Polymers for High-Efficiency Optoelectronic Devices

    Science.gov (United States)

    2014-10-20

    effects of stretching the conjugated polymer of MEH-PPV (Mw = 55kg/mole) on the photoluminescence behavior was further studied in the experiment of...in Opto- and Electro-Excitated Conjugated Polymers for High- Efficiency Optoelectronic Devices 5a. CONTRACT NUMBER FA2386-12-1-4064 5b. GRANT...The role of mechanical stresses in the optoelectronic behavior and exciton formation of conjugated polymers was explored in order to understand and to

  8. Electronic structure of InAs/GaAs self-assembled quantum dots studied by high-excitation luminescence in magnetic fields up to 73 T

    Energy Technology Data Exchange (ETDEWEB)

    Smirnov, D.; Raymond, S.; Studenikin, S.; Babinski, A.; Leotin, J.; Frings, P.; Potemski, M.; Sachrajda, A

    2004-04-30

    We report on high-excitation photoluminescence (PL) measurements of an ensemble of InAs/GaAs self-assembled quantum dots with large inter-shell spacing (75 meV) in magnetic fields up to 73 T. The PL spectra show a complex picture of levels splitting and crossings. A simple two-band single-particle model provides a good approximation to explain the observed magneto-PL spectra.

  9. Identification of antifungal compounds active against Candida albicans using an improved high-throughput Caenorhabditis elegans assay.

    Directory of Open Access Journals (Sweden)

    Ikechukwu Okoli

    Full Text Available Candida albicans, the most common human pathogenic fungus, can establish a persistent lethal infection in the intestine of the microscopic nematode Caenorhabditis elegans. The C. elegans-C. albicans infection model was previously adapted to screen for antifungal compounds. Modifications to this screen have been made to facilitate a high-throughput assay including co-inoculation of nematodes with C. albicans and instrumentation allowing precise dispensing of worms into assay wells, eliminating two labor-intensive steps. This high-throughput method was utilized to screen a library of 3,228 compounds represented by 1,948 bioactive compounds and 1,280 small molecules derived via diversity-oriented synthesis. Nineteen compounds were identified that conferred an increase in C. elegans survival, including most known antifungal compounds within the chemical library. In addition to seven clinically used antifungal compounds, twelve compounds were identified which are not primarily used as antifungal agents, including three immunosuppressive drugs. This assay also allowed the assessment of the relative minimal inhibitory concentration, the effective concentration in vivo, and the toxicity of the compound in a single assay.

  10. A non-empirical calculation of 2p core-electron excitation in compounds with 3d transition metal ions using ligand-field and density functional theory (LFDFT).

    Science.gov (United States)

    Ramanantoanina, Harry; Daul, Claude

    2017-08-09

    Methodological advents for the calculation of the multiplet energy levels arising from multiple-open-shell 2p53dn+1 electron configurations, with n = 0, 1, 2,… and 9, are presented. We use the Ligand-Field Density Functional Theory (LFDFT) program, which has been recently implemented in the Amsterdam Density Functional (ADF) program package. The methodology consists of calculating the electronic structure of a central metal ion together with its ligand coordination by means of the Density Functional Theory code. Besides, the core-hole effects are treated by incorporating many body effects and corrections via the configuration interaction algorithm within the active space of Kohn-Sham orbitals with dominant 2p and 3d characters of the transition metal ions, using an effective ligand-field Hamiltonian. The Slater-Condon integrals (F2(3d,3d), F4(3d,3d), G1(2p,3d), G3(2p,3d) and F2(2p,3d)), spin-orbit coupling constants (ζ2p and ζ3d) and parameters of the ligand-field potential (represented within the Wybourne formalism) are therefore determined giving rise to the multiplet structures of systems with 3dn and 2p53dn+1 configurations. The oscillator strengths of the electric-dipole allowed 3dn → 2p53dn+1 transitions are also calculated allowing the theoretical simulation of the absorption spectra of the 2p core-electron excitation. This methodology is applied to transition metal ions in the series Sc2+, Ti2+,…, Ni2+ and Cu2+ but also to selective compounds, namely SrTiO3 and MnF2. The comparison with available experimental data is good. Therefore, a non-empirical ligand-field treatment of the 2p53dn+1 configurations is established and available in the ADF program package illustrating the spectroscopic details of the 2p core-electron excitation that can be valuable in the further understanding and interpretation of the transition metal L2,3-edge X-ray absorption spectra.

  11. Wall-slip of highly filled powder injection molding compounds: Effect of flow channel geometry and roughness

    Science.gov (United States)

    Hausnerova, Berenika; Sanetrnik, Daniel; Paravanova, Gordana

    2014-05-01

    The paper deals with the rheological behavior of highly filled compounds proceeded via powder injection molding (PIM) and applied in many sectors of industry (automotive, medicine, electronic or military). Online rheometer equipped with slit dies varying in surface roughness and dimensions was applied to investigate the wall-slip as a rheological phenomenon, which can be considered as a parameter indicating the separation of compound components (polymer binder and metallic powder) during high shear rates when injection molded.

  12. Aluminium Foam and Magnesium Compound Casting Produced by High-Pressure Die Casting

    Directory of Open Access Journals (Sweden)

    Iban Vicario

    2016-01-01

    Full Text Available Nowadays, fuel consumption and carbon dioxide emissions are two of the main focal points in vehicle design, promoting the reduction in the weight of vehicles by using lighter materials. The aim of the work is to evaluate the influence of different aluminium foams and injection parameters in order to obtain compound castings with a compromise between the obtained properties and weight by high-pressure die cast (HPDC using aluminium foams as cores into a magnesium cast part. To evaluate the influence of the different aluminium foams and injection parameters on the final casting products quality, the type and density of the aluminium foam, metal temperature, plunger speed, and multiplication pressure have been varied within a range of suitable values. The obtained compound HPDC castings have been studied by performing visual and RX inspections, obtaining sound composite castings with aluminium foam cores. The presence of an external continuous layer on the foam surface and the correct placement of the foam to support injection conditions permit obtaining good quality parts. A HPDC processed magnesium-aluminium foam composite has been developed for a bicycle application obtaining a suitable combination of mechanical properties and, especially, a reduced weight in the demonstration part.

  13. Simultaneous distillation-extraction of high-value volatile compounds from Cistus ladanifer L.

    Science.gov (United States)

    Teixeira, Salomé; Mendes, Adélio; Alves, Arminda; Santos, Lúcia

    2007-02-19

    The present paper describes a procedure to isolate volatiles from rock-rose (Cistus ladanifer L.) using simultaneous distillation-extraction (SDE). High-value volatile compounds (HVVC) were selected and the influence of the extraction conditions investigated. The effect of the solvent nature and extraction time on SDE efficiency was studied. The best performance was achieved with pentane in 1 h operation. The extraction efficiencies ranged from 65% to 85% and the repeatability varied between 4% and 6% (as a CV%). The C. ladanifer SDE extracts were analysed by headspace solid phase microextraction (HS-SPME) followed by gas chromatography with flame ionization detection (GC-FID). The HS-SPME sampling conditions such as fiber coating, temperature, ionic strength and exposure time were optimized. The best results were achieved with an 85 microm polyacrylate fiber for a 60 min headspace extraction at 40 degrees C with 20% (w/v) of NaCl. For optimized conditions the recovery was in average higher than 90% for all compounds and the intermediate precision ranged from 4 to 9% (as CV %). The volatiles alpha-pinene (22.2 mg g(-1) of extract), 2,2,6-trimethylcyclohexanone (6.1 mg g(-1) of extract), borneol (3.0 mg g(-1) of extract) and bornyl acetate (3.9 mg g(-1) of extract) were identified in the SDE extracts obtained from the fresh plant material.

  14. Rapid identification of antifungal compounds against Exserohilum rostratum using high throughput drug repurposing screens.

    Science.gov (United States)

    Sun, Wei; Park, Yoon-Dong; Sugui, Janyce A; Fothergill, Annette; Southall, Noel; Shinn, Paul; McKew, John C; Kwon-Chung, Kyung J; Zheng, Wei; Williamson, Peter R

    2013-01-01

    A recent large outbreak of fungal infections by Exserohilum rostratum from contaminated compounding solutions has highlighted the need to rapidly screen available pharmaceuticals that could be useful in therapy. The present study utilized two newly-developed high throughput assays to screen approved drugs and pharmaceutically active compounds for identification of potential antifungal agents. Several known drugs were found that have potent effects against E. rostratum including the triazole antifungal posaconazole. Posaconazole is likely to be effective against infections involving septic joints and may provide an alternative for refractory central nervous system infections. The anti-E. rostratum activities of several other drugs including bithionol (an anti-parasitic drug), tacrolimus (an immunosuppressive agent) and floxuridine (an antimetabolite) were also identified from the drug repurposing screens. In addition, activities of other potential antifungal agents against E. rostratum were excluded, which may avoid unnecessary therapeutic trials and reveals the limited therapeutic alternatives for this outbreak. In summary, this study has demonstrated that drug repurposing screens can be quickly conducted within a useful time-frame. This would allow clinical implementation of identified alternative therapeutics and should be considered as part of the initial public health response to new outbreaks or rapidly-emerging microbial pathogens.

  15. Rapid identification of antifungal compounds against Exserohilum rostratum using high throughput drug repurposing screens.

    Directory of Open Access Journals (Sweden)

    Wei Sun

    Full Text Available A recent large outbreak of fungal infections by Exserohilum rostratum from contaminated compounding solutions has highlighted the need to rapidly screen available pharmaceuticals that could be useful in therapy. The present study utilized two newly-developed high throughput assays to screen approved drugs and pharmaceutically active compounds for identification of potential antifungal agents. Several known drugs were found that have potent effects against E. rostratum including the triazole antifungal posaconazole. Posaconazole is likely to be effective against infections involving septic joints and may provide an alternative for refractory central nervous system infections. The anti-E. rostratum activities of several other drugs including bithionol (an anti-parasitic drug, tacrolimus (an immunosuppressive agent and floxuridine (an antimetabolite were also identified from the drug repurposing screens. In addition, activities of other potential antifungal agents against E. rostratum were excluded, which may avoid unnecessary therapeutic trials and reveals the limited therapeutic alternatives for this outbreak. In summary, this study has demonstrated that drug repurposing screens can be quickly conducted within a useful time-frame. This would allow clinical implementation of identified alternative therapeutics and should be considered as part of the initial public health response to new outbreaks or rapidly-emerging microbial pathogens.

  16. Mixed-ligand Zn-MOFs for highly luminescent sensing of nitro compounds.

    Science.gov (United States)

    Wang, Hao; Yang, Weiting; Sun, Zhong-Ming

    2013-05-01

    Three Zn(II) metal-organic frameworks (Zn-MOFs), [Zn2(tib)(HL(1))(H2L(1))0.5]·2H2O (1), [Zn2(tib)(L(2))]·H2O (2) and [Zn3(tib)(L(3))2(H2O)6]·2 H2O (3), have been prepared by reactions of 1,3,5-tris(1-imidazolyl)benzene (tib), and biphenyl-3,3',4,4'-tetracarboxylic acid (H4L(1)), 4,4'-oxydiphthalic acid (H4L(2)), or benzene-1,3,5-tricarboxylic acid (H3L(3)) with corresponding Zn(II) salts, respectively. Single crystal structure analyses reveal that 1 and 2 are constructed by Zn-centered polyhedra, tib and multidentate tetracarboxylate ligands to form 3-dimensional frameworks. In contrast, when the tetracarboxylate ligands were replaced by tricarboxylate ligand, layered structure of 3 is produced. These compounds are further characterized by powder X-ray diffraction, element analyses, thermogravimetric analyses and photoluminescent spectroscopy. The luminescent properties of three Zn-MOFs dispersed in different solvents have been investigated systematically, demonstrating high sensitivity for the detection of nitro compounds via a fluorescence quenching mechanism. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. High-quality cost-effective compound management support for HTS.

    Science.gov (United States)

    Zaragoza-Sundqvist, Maximiliano; Eriksson, Hans; Rohman, Mattias; Greasley, Peter J

    2009-06-01

    Four years ago, the first acoustic droplet ejectors (ADEs) were launched on the market, providing a new generation of high-throughput noncontact liquid handlers that outclassed traditional contact instruments in almost every respect. This introduction of noncontact dispensing has triggered radical changes to the screening/compound management interface. Higher quality is achieved through greater accuracy and precision, whereas lower sample volumes can be used, and 1536 plate formats have become a reliable reality. Prior to the ADE instrument launch, 1536 assay-ready plate preparation was a high-effort enterprise requiring users to spend time developing liquid-handling methods along with daily fine-tuning of instruments to reach the desired level of performance. By overcoming the nanoliter dispensing hurdle and successfully transferring assays to high-density formats, a new dimension for cutting costs has emerged. Once the screening customer has adapted to this new world, the rules of supply can also change, with the traditional automated plate store no longer being necessary when the compound library can be stored in 1536 plates. Processing efficiency recently has been further supported by innovative new automation-friendly solutions such as plate desealers, prolonging the life span of working plate copies. Both cost and waste control have never had a higher profile, and noncontact dispensing contributes to these important areas. In some processes (e.g., when piercing septa), contact dispensing remains the best option, but cost control is still essential, and an innovative solution to minimize DMSO consumption from tip washing has had a big impact on consumable budget without compromising quality.

  18. Biotreatment of highly contaminated effluents with phenolic compounds in bioaugmented UASB reactors

    Energy Technology Data Exchange (ETDEWEB)

    Tawfiki-Hajji, K. [Biotechnology Research Inst., Montreal, PQ (Canada); Lepine, F. [Inst. Armand Frappier, Laval, PQ (Canada); Guiot, S.R. [Univ. de Sherbrooke, PQ (Canada) Dept. Genie Civil

    1999-11-01

    Phenolic compounds are common pollutants of surface and groundwaters originating from industrial activities, such as hydrocarbon refining, coal conversion and fiber processing. Because of their high water solubility these compounds can be present at high concentrations in these waters posing serious health problems. Treatment of wastewater streams containing these chemicals by anaerobic methanogenic processes is a viable option to meet stringent environmental standards. A highly specific methanogenic consortium was developed, which simultaneously degrades a mixture of phenols as well as ortho- and para-cresol under methangenic conditions at concentrations usually found in a specific petroleum refinery effluent. A waste product from the milk industry is used as a co-substrate. Characterization of the consortium using specific activity tests and scanning electron microscopy showed that the consortium contains all the trophic groups involved in methanogenic fermentation. Anaerobic granules were bioaugmented with the above methangenic consortium by natural accretion and encapsulation. The bioaugmentation of the anaerobic granules by natural accretion impacted the performance of the reactors. In the reactor bioaugmented by encapsulation, the same efficiences were attained as in the reactor bioaugmented with the 10% of enriched consortium. The strain ph6 of the consortium was specifically monitored during the course of an experiment, intermittantly, by applying PCR methods on the biomass inside the reactors and in the effluent. The control reactor reached a level of removal efficiency similar to that of the reactor with 10% of the enriched consortium after 160 days of operation. Bioaugmentation with an enriched consortium especially by encapsulation on the short term improved the start up by reducing the time period for the reactor to reach its full capacity, and on the long term significantly increased the specific degradation potential of the biomass with respect to

  19. Application of chemiluminescence for the detection of peroxy compounds in high-performance liquid chromatography.

    Science.gov (United States)

    Baj, Stefan; Chrobok, Anna; Cieślik, Mariola; Krawczyk, Tomasz

    2003-01-01

    The possibility of applying post-column reaction and chemiluminescence to determine organic peroxy compounds by RP-HPLC was investigated. Conditions of qualitative and quantitative analyses have been established. The applicability of the method has been demonstrated for a series of compounds representative of the most important groups of peroxy-type compounds, that is, hydroperoxides, dialkyl peroxides, diacyl peroxides, peroxyesters, and peroxyacids.

  20. High Density Hydrogen Storage System Demonstration Using NaAlH4 Based Complex Compound Hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Daniel A. Mosher; Xia Tang; Ronald J. Brown; Sarah Arsenault; Salvatore Saitta; Bruce L. Laube; Robert H. Dold; Donald L. Anton

    2007-07-27

    This final report describes the motivations, activities and results of the hydrogen storage independent project "High Density Hydrogen Storage System Demonstration Using NaAlH4 Based Complex Compound Hydrides" performed by the United Technologies Research Center under the Department of Energy Hydrogen Program, contract # DE-FC36-02AL67610. The objectives of the project were to identify and address the key systems technologies associated with applying complex hydride materials, particularly ones which differ from those for conventional metal hydride based storage. This involved the design, fabrication and testing of two prototype systems based on the hydrogen storage material NaAlH4. Safety testing, catalysis studies, heat exchanger optimization, reaction kinetics modeling, thermochemical finite element analysis, powder densification development and material neutralization were elements included in the effort.

  1. High-pressure assisted extraction of bioactive compounds from industrial fermented fig by-product.

    Science.gov (United States)

    Alexandre, Elisabete M C; Araújo, Paula; Duarte, Maria F; de Freitas, Victor; Pintado, Manuela; Saraiva, Jorge A

    2017-07-01

    High-pressure assisted extraction was employed to obtain fig by-product derived extracts and its impact was evaluated on antioxidant activity and total phenolic, tannin, and flavonoid. A Box-Behnken design was applied to evaluate the effects of pressure, extraction time and ethanol concentration on extractions and optimal conditions were estimated by response surface methodology. The correlation analysis of the mathematical-regression model indicated that a quadratic polynomial model could be employed to optimize the high pressure extraction of compounds. Only the models developed for total antioxidant activity by DPPH · and for total flavonoids presented coefficient determinations lower than 0.95. From response surface plots, pressure, extraction time and ethanol concentration showed independent and interactive effects. The optimal conditions included 600 MPa, an extraction time between 18 and 29 min, depending on the parameter analyzed and a low ethanol concentration (extracts performed at 0.1 MPa. Analysis of variance indicated a high goodness of fit of the models used and the adequacy of response surface methodology for optimizing high pressure extraction.

  2. Quadri-Pulse Theta Burst Stimulation using Ultra-High Frequency Bursts - A New Protocol to Induce Changes in Cortico-Spinal Excitability in Human Motor Cortex

    DEFF Research Database (Denmark)

    Jung, Nikolai H; Gleich, Bernhard; Gattinger, Norbert

    2016-01-01

    Patterned transcranial magnetic stimulation (TMS) such as theta burst stimulation (TBS) or quadri-pulse stimulation (QPS) can induce changes in cortico-spinal excitability, commonly referred to as long-term potentiation (LTP)-like and long-term depression (LTD)-like effects in human motor cortex ...... in cortico-spinal excitability. Induced current direction in the brain appears to be relevant when qTBS targets I-wave periodicity, corroborating that high-fidelity spike timing mechanisms are critical for inducing bi-directional plasticity in human M1....... was set to 666 Hz to mimic the rhythmicity of the descending cortico-spinal volleys that are elicited by TMS (i.e., I-wave periodicity). In a second experiment, burst frequency was set to 200 Hz to maximize postsynaptic Ca2+ influx using a temporal pattern unrelated to I-wave periodicity. The second phase...

  3. The high overtone and combination levels of SF6 revisited at Doppler-limited resolution: A global effective rovibrational model for highly excited vibrational states

    Science.gov (United States)

    Faye, M.; Boudon, V.; Loëte, M.; Roy, P.; Manceron, L.

    2017-03-01

    Sulfur hexafluoride is an important prototypal molecule for modeling highly excited vibrational energy flow and multi quanta absorption processes in hexafluoride molecules of technological importance. It is also a strong greenhouse gas of anthropogenic origin. This heavy species, however, features many hot bands at room temperature (at which only 30% of the molecules lie in the ground vibrational state), especially those originating from the lowest, v6=1 vibrational state. Using a cryogenic long path cell with variable optical path length and temperatures regulated between 120 and 163 K, coupled to Synchrotron Radiation and a high resolution interferometer, Doppler-limited spectra of the 2ν1 +ν3 , ν1 +ν2 +ν3 , ν1 +ν3 , ν2 +ν3 , 3ν3, ν2 + 3ν3 and ν1 + 3ν3 from 2000 to 4000 cm-1 near-infrared region has been recorded. Low temperature was used to limit the presence of hot bands. The spectrum has been analyzed thanks to the XTDS software package. Combining with previously observed weak difference bands in the far infrared region involving the v1, v2, v3=1 states, we are thus able to use the tensorial model to build a global fit of spectroscopic parameters for v1=1,2, v2=1, v3=1,2,3. The model constitutes a consistent set of molecular parameters and enable spectral rovibrational simulation for all multi-quanta transitions involving v1, v2 and v3 up to v1-3 = 3 . Tests simulation on rovibrational transitions not yet rovibrationally assigned are presented and compared to new experimental data.

  4. Light-induced catalytic and cytotoxic properties of phosphorescent transition metal compounds with a d8 electronic configuration

    National Research Council Canada - National Science Library

    To, Wai-Pong; Zou, Taotao; Sun, Raymond Wai-Yin; Che, Chi-Ming

    2013-01-01

    .... In the areas of photocatalysis and photodynamic therapy, metal compounds of heavy transition metals are highly sought after because they can give rise to triplet excited states upon photoexcitation...

  5. Chemical Reactivity Dynamics and Quantum Chaos in Highly Excited Hydrogen Atoms in an External Field: A Quantum Potential Approach

    Directory of Open Access Journals (Sweden)

    B. Maiti

    2002-04-01

    Full Text Available Abstract: Dynamical behavior of chemical reactivity indices like electronegativity, hardness, polarizability, electrophilicity and nucleophilicity indices is studied within a quantum fluid density functional framework for the interactions of a hydrogen atom in its ground electronic state (n = 1 and an excited electronic state (n = 20 with monochromatic and bichromatic laser pulses. Time dependent analogues of various electronic structure principles like the principles of electronegativity equalization, maximum hardness, minimum polarizability and maximum entropy have been found to be operative. Insights into the variation of intensities of the generated higher order harmonics on the color of the external laser field are obtained. The quantum signature of chaos in hydrogen atom has been studied using a quantum theory of motion and quantum fluid dynamics. A hydrogen atom in the electronic ground state (n = 1 and in an excited electronic state ( n = 20 behaves differently when placed in external oscillating monochromatic and bichromatic electric fields. Temporal evolutions of Shannon entropy, quantum Lyapunov exponent and Kolmogorov – Sinai entropy defined in terms of the distance between two initially close Bohmian trajectories for these two cases show marked differences. It appears that a larger uncertainty product and a smaller hardness value signal a chaotic behavior.

  6. High-pressure Synthesis and Physical Properties of New Filled Skutterudite Compound BaOs4P12

    Science.gov (United States)

    Deminami, S.; Kawamura, Y.; Chen, Y. Q.; Kanazawa, M.; Hayashi, J.; Kuzuya, T.; Takeda, K.; Matsuda, M.; Sekine, C.

    2017-10-01

    We have succeeded in synthesizing samples of new filled skutterudite compound BaOs4P12 using the high-pressure synthesis technique. The physical properties of the compound are reported for the first time. The electrical resistivity decreases with decreasing temperature, and drop sharply around 1.8K. This indicates that BaOs4P12 is a new superconductor. Before the high-pressure synthesis, using synchrotron radiation x-ray, we tried to observe synthesizing processes of BaOs4P12 in-situ at high temperature and high pressure to obtain the optimum condition for synthesis.

  7. Membrane filtration of agro-industrial wastewaters and isolation of organic compounds with high added values.

    Science.gov (United States)

    Zagklis, Dimitris P; Paraskeva, Christakis A

    2014-01-01

    The aim of the current study was the exploitation of agro-industrial wastes or by-products such as olive mill wastewater (OMW) and defective wines. A cost-effective system for their maximum exploitation is suggested, using a combined process of membrane filtration and other physicochemical processes. Wastewaters are first treated in a membrane system (prefiltration, ultrafiltration, nanofiltration, and reverse osmosis) where pure water and other organic fractions (by-products) are obtained. Organic fractions, called hereafter byproducts and not wastes, are further treated for the separation of organic compounds and isolation of high added value products. Experiments were performed with OMW and defective wines as characteristic agro-industrial wastewaters. Profit from the exploitation of agro-industrial wastewaters can readily help the depreciation of the indeed high cost process of membrane filtration. The simple phenolic fraction of the OMW was successfully isolated from the rest of the waste, and problems occurring during winemaking, such as high volatile acidity and odours, were tackled.

  8. The thermodynamic properties of the high-pressure superconducting state in the hydrogen-rich compounds

    Science.gov (United States)

    Szcz&şacute; niak, Radosław; Durajski, Artur P.

    2013-11-01

    The ab initio calculations suggest that the superconducting state in CaH6 under the pressure (p) at 150 GPa has the highest critical temperature among the examined hydrogen-rich compounds. For this reason, the relevant thermodynamic parameters of the superconducting state in CaH6 have been determined; a wide range of the Coulomb pseudopotential has been assumed: μ⋆∈. It has been found that: (i) The critical temperature (TC) changes in the range from 243 K to 180 K (ii) The values of the ratio of the energy gap to the critical temperature (RΔ ≡ 2Δ(0)/kBTC) can be found in the range from 5.42 to 5.02. (iii) The ratio of the specific heat jump (ΔC(TC)) to the value of the specific heat in the normal state (CN(TC)), which has been represented by the symbol RC, takes the values from 3.30 to 3.18. (iv) The ratio R≡TC(T)/HC2(0), where HC(0) denotes the critical thermodynamic field, changes from 0.122 to 0.125. The above results mean that even for the strong electron depairing correlations the superconducting state in CaH6 is characterized by a very high value of TC, and the remaining thermodynamic parameters significantly deviate from the predictions of the BCS theory. The study has brought out the expressions that correctly predict the values of the thermodynamic parameters for the superconducting state in CaH6 and for the compounds: SiH4(H2)2, Si2H6, B2H6, SiH4, GeH4, and PtH. Next, in the whole family of the hydrogen-rich compounds, the possible ranges of the values have been determined for TC, RΔ, RC, and RH. It has been found that the maximum value of the critical temperature can be equal to 764 K, which very well correlates with TC for metallic hydrogen (p = 2 TPa). Other parameters (RΔ, RC, and RH) should not deviate from the predictions of the BCS theory more than the analogous parameters for CaH6.

  9. Estimation of costs for control of Salmonella in high-risk feed materials and compound feed.

    Science.gov (United States)

    Wierup, Martin; Widell, Stig

    2014-01-01

    Feed is a potential and major source for introducing Salmonella into the animal-derived food chain. This is given special attention in the European Union (EU) efforts to minimize human food-borne Salmonella infections from animal-derived food. The objective of this study was to estimate the total extra cost for preventing Salmonella contamination of feed above those measures required to produce commercial feed according to EU regulation (EC) No 183/2005. The study was carried out in Sweden, a country where Salmonella infections in food-producing animals from feed have largely been eliminated. On the initiative and leadership of the competent authority, the different steps of feed production associated with control of Salmonella contamination were identified. Representatives for the major feed producers operating in the Swedish market then independently estimated the annual mean costs during the years 2009 and 2010. The feed producers had no known incentives to underestimate the costs. The total cost for achieving a Salmonella-safe compound feed, when such a control is established, was estimated at 1.8-2.3 € per tonne of feed. Of that cost, 25% relates to the prevention of Salmonella contaminated high-risk vegetable feed materials (mainly soybean meal and rapeseed meal) from entering feed mills, and 75% for measures within the feed mills. Based on the feed formulations applied, those costs in relation to the farmers' 2012 price for compound feed were almost equal for broilers and dairy cows (0.7%). Due to less use of protein concentrate to fatten pigs, the costs were lower (0.6%). These limited costs suggest that previous recommendations to enforce a Salmonella-negative policy for animal feed are realistic and economically feasible to prevent a dissemination of the pathogen to animal herds, their environment, and potentially to human food products.

  10. Estimation of costs for control of Salmonella in high-risk feed materials and compound feed

    Directory of Open Access Journals (Sweden)

    Martin Wierup

    2014-06-01

    Full Text Available Introduction: Feed is a potential and major source for introducing Salmonella into the animal-derived food chain. This is given special attention in the European Union (EU efforts to minimize human food-borne Salmonella infections from animal-derived food. The objective of this study was to estimate the total extra cost for preventing Salmonella contamination of feed above those measures required to produce commercial feed according to EU regulation (EC No 183/2005. The study was carried out in Sweden, a country where Salmonella infections in food-producing animals from feed have largely been eliminated. Methods: On the initiative and leadership of the competent authority, the different steps of feed production associated with control of Salmonella contamination were identified. Representatives for the major feed producers operating in the Swedish market then independently estimated the annual mean costs during the years 2009 and 2010. The feed producers had no known incentives to underestimate the costs. Results and discussion: The total cost for achieving a Salmonella-safe compound feed, when such a control is established, was estimated at 1.8–2.3 € per tonne of feed. Of that cost, 25% relates to the prevention of Salmonella contaminated high-risk vegetable feed materials (mainly soybean meal and rapeseed meal from entering feed mills, and 75% for measures within the feed mills. Based on the feed formulations applied, those costs in relation to the farmers’ 2012 price for compound feed were almost equal for broilers and dairy cows (0.7%. Due to less use of protein concentrate to fatten pigs, the costs were lower (0.6%. These limited costs suggest that previous recommendations to enforce a Salmonella-negative policy for animal feed are realistic and economically feasible to prevent a dissemination of the pathogen to animal herds, their environment, and potentially to human food products.

  11. Simultaneous extraction and biotransformation process to obtain high bioactivity phenolic compounds from Brazilian citrus residues.

    Science.gov (United States)

    Madeira, Jose Valdo; Macedo, Gabriela Alves

    2015-01-01

    Recent studies have pointed to a reduction in the incidence of some cancers, diabetes, and neuro-degenerative diseases as a result of human health benefits from flavanones. Currently, flavanones are obtained by chemical synthesis or extraction from plants, and these processes are only produced in the glycosylated form. An interesting environmentally friendly alternative that deserves attention regarding phenolic compound production is the simultaneous extraction and biotransformation of these molecules. Orange juice consumption has become a worldwide dietary habit and Brazil is the largest producer of orange juice in the world. Approximately half of the citrus fruit is discarded after the juice is processed, thus generating large amounts of residues (peel and pectinolytic material). Hence, finding an environmentally clean technique to extract natural products and bioactive compounds from different plant materials has presented a challenging task over the last decades. The aim of this study was to obtain phenolics from Brazilian citrus residues with high bioactivity, using simultaneous extraction (cellulase and pectinase) and biotransformation (tannase) by enzymatic process. The highest hesperetin, naringenin and ellagic acid production in the experiment were 120, 80, and 11,250 µg g(-1), respectively, at 5.0 U mL(-1) of cellulase and 7.0 U mL(-1) of tannase at 40°C and 200 rpm. Also, the development of this process generated an increase of 77% in the total antioxidant capacity. These results suggest that the bioprocess obtained innovative results where the simultaneous enzymatic and biotransformatic extracted flavanones from agro-industrial residues was achieved without the use of organic solvents. The methodology can therefore be considered a green technology. © 2015 American Institute of Chemical Engineers.

  12. Level-resolved quantum statistical theory of electron capture into many-electron compound resonances in highly charged ions

    CERN Document Server

    Berengut, J C; Dzuba, V A; Flambaum, V V; Gribakin, G F

    2015-01-01

    The strong mixing of many-electron basis states in excited atoms and ions with open $f$ shells results in very large numbers of complex, chaotic eigenstates that cannot be computed to any degree of accuracy. Describing the processes which involve such states requires the use of a statistical theory. Electron capture into these 'compound resonances' leads to electron-ion recombination rates that are orders of magnitude greater than those of direct, radiative recombination, and cannot be described by standard theories of dielectronic recombination. Previous statistical theories considered this as a two-electron capture process which populates a pair of single-particle orbitals, followed by 'spreading' of the two-electron states into chaotically mixed eigenstates. This method is similar to a configuration-average approach, as it neglects potentially important effects of spectator electrons and conservation of total angular momentum. In this work we develop a statistical theory which considers electron capture in...

  13. Optical properties of V1-xCrxO2 compounds under high pressure

    Science.gov (United States)

    Marini, C.; Arcangeletti, E.; di Castro, D.; Baldassare, L.; Perucchi, A.; Lupi, S.; Malavasi, L.; Boeri, L.; Pomjakushina, E.; Conder, K.; Postorino, P.

    2008-06-01

    Raman and infrared transmission and reflectivity measurements were carried out at room temperature and high pressure (0-15 GPa) on V1-xCrxO2 compounds. Raman spectra were collected at ambient conditions on the x=0.007 and 0.025 materials, which are characterized by different insulating monoclinic phases ( M3 and M2 , respectively), while infrared spectra were collected on the x=0.025 sample only. The present data were compared with companion results on undoped VO2 [E. Arcangeletti , Phys. Rev. Lett. 98, 196406 (2007)], which is found at ambient conditions in a different, third insulating monoclinic phase, named M1 . This comparison allowed us to investigate the effects of different extents of structural distortions (Peierls distortion) on the lattice dynamics and the electronic properties of this family of compounds. The pressure dependence of the Raman spectrum of VO2 and Cr-doped samples shows that all the systems retain the monoclinic structure up to the highest explored pressure, regardless the specific monoclinic structure ( M1 , M2 , and M3 ) at ambient condition. Moreover, the Raman spectra of the two Cr-doped samples, which exhibit an anomalous behavior over the low-pressure range (P<8GPa) , merge into that of VO2 in the high-pressure regime and are all found into a common monoclinic phase (a possible fourth kind phase). Combining Raman and infrared results on both the VO2 and the present data, we found that a common metallic monoclinic phase appears accessible in the high-pressure regime at room temperature for both undoped and Cr-doped samples independently of the different extents of Peierls distortion at ambient conditions. This finding differs from the behavior observed at ambient pressure, where the metallic phase is found only in conjunction with the rutile structure. The whole of these results suggests a major role of the electron correlations, rather than of the Peierls distortion, in driving the metal-insulator transition in vanadium dioxide

  14. Effect of ultra high pressure homogenization treatment on the bioactive compounds of soya milk.

    Science.gov (United States)

    Toro-Funes, N; Bosch-Fusté, J; Veciana-Nogués, M T; Vidal-Carou, M C

    2014-01-01

    Ultra high pressure homogenization (UHPH) is a useful novel technology to obtain safe and high-quality liquid foods. The effect of UHPH at 200 and 300 MPa in combination with different inlet temperatures (Tin) (55, 65 and 75 °C) on the bioactive compounds of soya milk was studied. Total phytosterols increased with the higher combination of pressure and temperature. The main phytosterol was β-sitosterol, followed by stigmasterol and campesterol. Total tocopherols in UHPH-treated soya milks decreased as the temperature and pressure increased. UHPH treatment also affected the different chemical forms of tocopherols. No biogenic amines were detected in any of the analyzed soya milks. Meanwhile, the polyamines SPD and SPM were found in all soya milks, being stable to the UHPH treatment. Total isoflavones increased with the higher combination of pressure and temperature. No differences in the isoflavone profile were found, with β-glucoside conjugates being the predominant form. Copyright © 2013 Elsevier Ltd. All rights reserved.

  15. High-throughput screening of PLGA thin films utilizing hydrophobic fluorescent dyes for hydrophobic drug compounds.

    Science.gov (United States)

    Steele, Terry W J; Huang, Charlotte L; Kumar, Saranya; Widjaja, Effendi; Chiang Boey, Freddy Yin; Loo, Joachim S C; Venkatraman, Subbu S

    2011-10-01

    Hydrophobic, antirestenotic drugs such as paclitaxel (PCTX) and rapamycin are often incorporated into thin film coatings for local delivery using implantable medical devices and polymers such as drug-eluting stents and balloons. Selecting the optimum coating formulation through screening the release profile of these drugs in thin films is time consuming and labor intensive. We describe here a high-throughput assay utilizing three model hydrophobic fluorescent compounds: fluorescein diacetate (FDAc), coumarin-6, and rhodamine 6G that were incorporated into poly(d,l-lactide-co-glycolide) (PLGA) and PLGA-polyethylene glycol films. Raman microscopy determined the hydrophobic fluorescent dye distribution within the PLGA thin films in comparison with that of PCTX. Their subsequent release was screened in a high-throughput assay and directly compared with HPLC quantification of PCTX release. It was observed that PCTX controlled-release kinetics could be mimicked by a hydrophobic dye that had similar octanol-water partition coefficient values and homogeneous dissolution in a PLGA matrix as the drug. In particular, FDAc was found to be the optimal hydrophobic dye at modeling the burst release as well as the total amount of PCTX released over a period of 30 days. Copyright © 2011 Wiley-Liss, Inc.

  16. Evolution of electronic structure in highly charge doped MoS2 compounds

    Science.gov (United States)

    Bin Subhan, Mohammed; Watson, Matthew; Liu, Zhongkai; Walters, Andrew; Hoesch, Moritz; Howard, Chris; Diamond I05 beamline Collaboration

    Transition-metal dichalcogenides (TMDCs) are a group of layered materials that exhibit a rich array of electronic ground states including semiconductivity, metallicity, superconductivity and charge density waves. In recent years, 2D TMDCs have attracted considerable attention due to their unique properties and potential applications in optoelectronics. It has been shown that the charge carrier density in few layer MoS2 can be tunably increased via electrostatic gating. At high levels of doping, MoS2 exhibits superconductivity with a dome-like dependence of Tc on doping analogous to that found in the cuprate superconductors. High doping can also be achieved via intercalation of alkali metals in bulk MoS2. The origin of this superconductivity is not yet fully understood with predictions ranging from exotic pairing mechanisms in bulk systems to Ising superconductivity in single layers. Despite these interesting properties, there has been limited research to date on the electronic structure of these doped compounds. Here we present our work on alkali metal intercalated MoS2 using the low temperature metal ammonia solution method. Using X-ray diffraction, Raman spectroscopy and ARPES measurements we will discuss the physical and electronic structure of these materials. EPSRC, Diamond Light Source.

  17. Dynamic Features of the Highly Excited Vibrational States of the HOCl Non-Integrable System Based on the Dynamic Potential and Lyapunov Exponent Approaches.

    Science.gov (United States)

    Wang, Aixing; Fang, Chao; Liu, Yibao

    2017-01-07

    In this article the dynamic features of the highly excited vibrational states of the hypochlorous acid (HOCl) non-integrable system are studied using the dynamic potential and Lyapunov exponent approaches. On the condition that the 3:1 resonance between the H-O stretching and H-O-Cl bending modes accompany the 2:1 Fermi resonance between the O-Cl stretching and H-O-Cl bending modes, it is found that the dynamic potentials of the highly excited vibrational states vary regularly with different Polyad numbers (P numbers). As the P number increases, the dynamic potentials of the H-O stretching mode remain the same, but those of the H-O-Cl bending mode gradually become complex. In order to investigate the chaotic and stable features of the highly excited vibrational states of the HOCl non-integrable system, the Lyapunov exponents of different energy levels lying in the dynamic potentials of the H-O-Cl bending mode (P = 4 and 5) are calculated. It is shown that the Lyapunov exponents of the energy levels staying in the junction of Morse potential and inverse Morse potential are relative large, which indicates the degrees of chaos for these energy levels is relatively high, but the stabilities of the corresponding states are good. These results could be interpreted as the intramolecular vibrational relaxation (IVR) acting strongly via the HOCl bending motion and causing energy transfers among different modes. Based on the previous studies, these conclusions seem to be generally valid to some extent for non-integrable triatomic molecules.

  18. Research of operational properties of compound based on high viscosity styrene-butadiene rubber SSBR-2560 TDAE HV

    Directory of Open Access Journals (Sweden)

    M. I. Falyakhov

    2016-01-01

    Full Text Available The article consider the influence of replacement of SSBR-2560 TDAE batch production on high viscosity SSBR-2560-TDAE HV in the tread recipe on the tire performance properties. Obtained samples were highly viscosity styrene butadiene rubber did not differ in the microstructure of the SSBR-2560 TDAE batch production. Increasing the molecular weight possible to increase the Mooney viscosity of the rubber, however, is known to one of adverse factors is the deterioration of processability of rubber compounds based on polymers. In this connection, investigated the behavior in the step mixing compound based on high viscosity SSBR rubber. We chose recipes tread of the tire with a high content of organic silicon filler. It is established that the equivalent replacement of the polymer in the tread recipe does not lead to significant changes in the basic parameters of rubber mixing. We observed a slight increase in the energy consumption for the preparation of the rubber compounds, as well as the discharge temperature at each stage. It was shown to improve the distribution of the filler in the polymer matrix for the compound based on SSBR-2560 TDAE HV. The results showed that compound based on high viscosity SSBR improves rolling resistance and traction characteristics, while maintaining abrasion in comparison with the SSBR-2560-M27 batch production. Recommended use this brand in the production of rubber car tires.

  19. The Potential of a Brown Microalga Cultivated in High Salt Medium for the Production of High-Value Compounds

    Science.gov (United States)

    Boukhris, Saoussan; Athmouni, Khaled; Hamza-Mnif, Ibtissem; Siala-Elleuch, Rayda; Ayadi, Habib; Nasri, Moncef

    2017-01-01

    Amphora sp. was isolated from the Sfax Solar Saltern and cultivated under hypersaline conditions. It contains moderate rates of proteins, lipids, sugars, and minerals and a prominent content of bioactive compounds: polyphenols, chlorophyll a, carotenoids, and fatty acids. The analysis of fatty acids with GC/MS showed that the C16 series accounted for about 75% of Amphora sp. lipids. Saturated fatty acids whose palmitic acid was the most important (27.41%) represented 41.31%. Amphora sp. was found to be rich in monounsaturated fatty acids with dominance of palmitoleic acid. It also contains a significant percentage of polyunsaturated fatty acids with a high amount of eicosapentaenoic acid (2.36%). Among the various solvents used, ethanol at 80% extracted the highest amounts of phenols and flavonoids that were 38.27 mg gallic acid equivalent and 17.69 mg catechin equivalent g−1 of dried extract, respectively. Using various in vitro assays including DPPH and ABTS radicals methods, reducing power assay, and β-carotene bleaching assay, the 80% ethanolic extract showed high antioxidant activity. A strong antibacterial activity was checked against Gram-positive bacteria (Staphylococcus aureus and Micrococcus luteus) and Gram-negative bacteria (Klebsiella pneumoniae and Salmonella enterica). These results are in favor of Amphora sp. valorization in aquaculture and food and pharmaceutical industries. PMID:28612024

  20. The Potential of a Brown Microalga Cultivated in High Salt Medium for the Production of High-Value Compounds

    Directory of Open Access Journals (Sweden)

    Saoussan Boukhris

    2017-01-01

    Full Text Available Amphora sp. was isolated from the Sfax Solar Saltern and cultivated under hypersaline conditions. It contains moderate rates of proteins, lipids, sugars, and minerals and a prominent content of bioactive compounds: polyphenols, chlorophyll a, carotenoids, and fatty acids. The analysis of fatty acids with GC/MS showed that the C16 series accounted for about 75% of Amphora sp. lipids. Saturated fatty acids whose palmitic acid was the most important (27.41% represented 41.31%. Amphora sp. was found to be rich in monounsaturated fatty acids with dominance of palmitoleic acid. It also contains a significant percentage of polyunsaturated fatty acids with a high amount of eicosapentaenoic acid (2.36%. Among the various solvents used, ethanol at 80% extracted the highest amounts of phenols and flavonoids that were 38.27 mg gallic acid equivalent and 17.69 mg catechin equivalent g−1 of dried extract, respectively. Using various in vitro assays including DPPH and ABTS radicals methods, reducing power assay, and β-carotene bleaching assay, the 80% ethanolic extract showed high antioxidant activity. A strong antibacterial activity was checked against Gram-positive bacteria (Staphylococcus aureus and Micrococcus luteus and Gram-negative bacteria (Klebsiella pneumoniae and Salmonella enterica. These results are in favor of Amphora sp. valorization in aquaculture and food and pharmaceutical industries.

  1. Mean excitation energies for molecular ions

    DEFF Research Database (Denmark)

    Jensen, Phillip W. K.; Sauer, Stephan P. A.; Oddershede, Jens

    2017-01-01

    The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase...... with ionic charge. However, while the mean excitation energies of atoms also increase with atomic number, the opposite is the case for mean excitation energies for molecules and molecular ions. The origin of these effects is explained by considering the spectral representation of the excited state...... contributing to the mean excitation energy....

  2. Mean excitation energies for molecular ions

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, Phillip W.K.; Sauer, Stephan P.A. [Department of Chemistry, University of Copenhagen, Copenhagen (Denmark); Oddershede, Jens [Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark, Odense (Denmark); Quantum Theory Project, Departments of Physics and Chemistry, University of Florida, Gainesville, FL (United States); Sabin, John R., E-mail: sabin@qtp.ufl.edu [Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark, Odense (Denmark); Quantum Theory Project, Departments of Physics and Chemistry, University of Florida, Gainesville, FL (United States)

    2017-03-01

    The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase with ionic charge. However, while the mean excitation energies of atoms also increase with atomic number, the opposite is the case for mean excitation energies for molecules and molecular ions. The origin of these effects is explained by considering the spectral representation of the excited state contributing to the mean excitation energy.

  3. Solvent influence on excited-state intramolecular proton transfer in 3-hydroxychromone derivatives studied by cryogenic high-resolution fluorescence spectroscopy

    NARCIS (Netherlands)

    Bader, A.N.; Pivovarenko, V.; Demchenko, A.P.; Ariese, F.; Gooijer, C.

    2003-01-01

    High-resolution Shpol'skii spectra (recorded at 10 K in n-octane) of 3-hydroxychromone (3HC) substituted at the 2-position with a furan (3HC-F), a benzofuran (3HC-BF) or a naphthofuran group (3HC-NF) are presented. Being close analogues of 3-hydroxyflavone (3HF), these compounds can undergo

  4. Anthropogenic Emissions of Highly Reactive Volatile Organic Compounds (HRVOCs) Inferred from Oversampling of OMI HCHO Columns

    Science.gov (United States)

    Zhu, Lei; Jacob, Daniel; Mickley, Loretta; Marais, Eloise; Zhang, Aoxing; Cohan, Daniel; Yoshida, Yasuko; Duncan, Bryan; Abad, Gonzalo Gonzalez; Chance, Kelly; hide

    2014-01-01

    Satellite observations of formaldehyde (HCHO) columns provide top-down constraints on emissions of highly reactive volatile organic compounds (HRVOCs). This approach has been used previously to constrain emissions of isoprene from vegetation, but application to US anthropogenic emissions has been stymied by lack of a discernable HCHO signal. Here we show that oversampling of HCHO data from the Ozone Monitoring Instrument (OMI) for 2005 - 2008 enables quantitative detection of urban and industrial plumes in eastern Texas including Houston, Port Arthur, and Dallas-Fort Worth. By spatially integrating the individual urban-industrial HCHO plumes observed by OMI we can constrain the corresponding HCHO-weighted HRVOC emissions. Application to the Houston plume indicates a HCHO source of 260 plus or minus 110 kmol h-1 and implies a factor of 5.5 plus or minus 2.4 underestimate of anthropogenic HRVOC emissions in the US Environmental Protection Agency inventory. With this approach we are able to monitor the trend in HRVOC emissions over the US, in particular from the oil-gas industry, over the past decade.

  5. Simultaneous characterization and quantification of 17 main compounds in Rabdosia rubescens by high performance liquid chromatography

    Directory of Open Access Journals (Sweden)

    Sen Guo

    2017-04-01

    Full Text Available Rabdosia rubescens is a healthy herbal tea and well-known Chinese medicinal herb. To evaluate the quality of R. rubescens from China, a high performance liquid chromatography method with dual-wavelength detection was developed and validated. The method was successfully applied for the simultaneous characterization and quantification of 17 main constituents from four different cultivation regions in China. Under optimal conditions, analysis was performed on a Luna C-18 column and gradient elution with a solvent system of acetonitrile and 0.5% (v/v acetic acid–water at a flow rate of 1.0 mL/min and wavelength of 220 nm and 280 nm. All standard calibration curves exhibited good linearity (r2 > 0.9992 within the test ranges. The precision was evaluated by intraday and interday tests, which revealed relative standard deviation values within the ranges of 0.57–2.35% and 0.52–3.40%, respectively. The recoveries were in the range of 96.37–101.66%. The relative standard deviation values for stability and repeatability were < 5%. The contents of some compounds were low and varied with different cultivars. The proposed method could serve as a prerequisite for quality control of R. rubescens materials and products.

  6. High quality lamella preparation of gallium nitride compound semiconductor using Triple Beam™ system

    Science.gov (United States)

    Sato, T.; Nakano, K.; Matsumoto, H.; Torikawa, S.; Nakatani, I.; Kiyohara, M.; Isshiki, T.

    2017-09-01

    Gallium nitride (GaN) compound semiconductors have been known to be very sensitive to Ga focused ion beam (FIB) processing. Due to the nature of GaN based materials it is often difficult to produce damage-free lamellae, therefore applying the Triple Beam™ system which incorporates an enhanced method for amorphous removal is presented to make a high quality lamella. The damage or distortion layer thickness of GaN single crystal prepared with 30 kV Ga FIB and 1 kV Ga FIB were about 17 nm and 1.5 nm respectively. The crystallinity at the uppermost surface remained unaffected when the condition of 1 kV Ar ion milling with the Triple Beam™ system was used. The technique of combining traditional Ga FIB processing with an enhanced method for amorphous layer removal by low energy Ar ion milling allows us to analyse the InGaN/GaN interface using aberration corrected scanning transmission electron microscopy at atomic resolution levels.

  7. Compound semiconductor field-effect transistors with improved dc and high frequency performance

    Energy Technology Data Exchange (ETDEWEB)

    Zolper, J.C.; Sherwin, M.E.; Baca, A.G.

    1995-12-31

    A method for making compound semiconductor devices including the use of a p-type dopant is disclosed wherein the dopant is co-implanted with an n-type donor species at the time the n-channel is deposited. Also disclosed are devices manufactured using the method. In the preferred embodiment n-MESFETs and other similar field effect transistor devices are manufactured using C ions implanted with Si atoms in GaAs to form an n-channel. C exhibits a unique characteristic in the context of the invention in that it exhibits a low activation efficiency (typically, 50% or less) as a p-type dopant, and consequently, it acts to sharpen the Si n-channel by compensating Si donors in the region the Si-channel tail, but does not contribute substantially to the acceptor concentration in the region of the buried p-implant. As a result, the invention provides for improved field effect transistor devices with enhancement of both DC and high-frequency performance.

  8. Simultaneous characterization and quantification of 17 main compounds in Rabdosia rubescens by high performance liquid chromatography.

    Science.gov (United States)

    Guo, Sen; Cui, Xueqin; Jiang, Mi; Bai, Lu; Tian, Xiao; Guo, Tiantian; Liu, Qingchao; Zhang, Li; Ho, Chi-Tang; Bai, Naisheng

    2017-04-01

    Rabdosia rubescens is a healthy herbal tea and well-known Chinese medicinal herb. To evaluate the quality of R. rubescens from China, a high performance liquid chromatography method with dual-wavelength detection was developed and validated. The method was successfully applied for the simultaneous characterization and quantification of 17 main constituents from four different cultivation regions in China. Under optimal conditions, analysis was performed on a Luna C-18 column and gradient elution with a solvent system of acetonitrile and 0.5% (v/v) acetic acid-water at a flow rate of 1.0 mL/min and wavelength of 220 nm and 280 nm. All standard calibration curves exhibited good linearity (r 2  > 0.9992) within the test ranges. The precision was evaluated by intraday and interday tests, which revealed relative standard deviation values within the ranges of 0.57-2.35% and 0.52-3.40%, respectively. The recoveries were in the range of 96.37-101.66%. The relative standard deviation values for stability and repeatability were < 5%. The contents of some compounds were low and varied with different cultivars. The proposed method could serve as a prerequisite for quality control of R. rubescens materials and products. Copyright © 2016. Published by Elsevier B.V.

  9. First-principles study of ternary Li-Al-Te compounds under high pressure

    Science.gov (United States)

    Wang, Youchun; Tian, Fubo; Li, Da; Duan, Defang; Xie, Hui; Liu, Bingbing; Zhou, Qiang; Cui, Tian

    2018-02-01

    The ternary Li-Al-Te compounds were investigated by the first-principle evolutionary calculation based on density function theory. Apart from the known structure, I-42d LiAlTe2 and P3m1 LiAlTe2, several new structures were discovered, P-3m1 LiAlTe2, Pnma LiAlTe2, C2/c Li9AlTe2, Immm Li9AlTe2 and P4/mmm Li6AlTe. We determined that the I-42d LiAlTe2 firstly changed to P-3m1 phase at 6 GPa, and then into the Pnma structure at 65 GPa, Pnma phase was stable up at least to 120 GPa. I-42d LiAlTe2 was a pseudo-direct band gap semiconductor, but P-3m1 LiAlT2 was an indirect band gap semiconductor. This may be caused by the pressure effect. Subsequently, it was metallized under pressure. Pnma LiAlTe2 was also metallic at the pressure we studied. C2/c Li9AlTe2 was stable above 4 GPa, then turned into Immm phase at 60 GPa. C2/c Li9AlTe2 was an indirect band gap semiconductor. The results show that P4/mmm Li6AlTe was stable and metallized in the pressure range of 0.7-120 GPa. The calculations of DOS and PDOS indicate that the arrangement of electrons near Fermi energy can be affected by the increase of Li. The calculated ELF results and Bader charge analysis indicate that there was no covalent bond between Al and Te atoms for high-pressure Pnma LiAlTe2, Li9AlTe2 and Li6AlTe. For Li9AlTe2 and Li6AlTe, different from LiAlTe2, Al atoms not connect with Te atoms, but link with Li atoms. The results were further proved by Mulliken population analysis. And the weak covalent bonds between Li and Al atoms stem from the hybridization of Li s and Al p presented in PDOS diagrams. We further deduced that the pressure effect and the increase of Li content may result in the disappearance of Al-Te bonds for Li-Al-Te compound under extreme pressure.

  10. Volatile organic compound emissions from arctic vegetation highly responsive to experimental warming

    Science.gov (United States)

    Rinnan, Riikka; Kramshøj, Magnus; Lindwall, Frida; Schollert, Michelle; Svendsen, Sarah H.; Valolahti, Hanna

    2017-04-01

    Arctic areas are experiencing amplified climate warming that proceeds twice as fast as the global temperature increase. The increasing temperature is already causing evident alterations, e.g. changes in the vegetation cover as well as thawing of permafrost. Climate warming and the concomitant biotic and abiotic changes are likely to have strong direct and indirect effects on emission of volatile organic compounds (VOCs) from arctic vegetation. We used long-term field manipulation experiments in the Subarctic, Low Arctic and High Arctic to assess effects of climate change on VOC emissions from vegetation communities. In these experiments, we applied passive warming with open-top chambers alone and in combination with other experimental treatments in well-replicated experimental designs. Volatile emissions were sampled in situ by drawing air from plant enclosures and custom-built chambers into adsorbent cartridges, which were analyzed by thermal desorption and gas chromatography-mass spectrometry in laboratory. Emission increases by a factor of 2-5 were observed under experimental warming by only a few degrees, and the strong response seems universal for dry, mesic and wet ecosystems. In some cases, these vegetation community level responses were partly due to warming-induced increases in the VOC-emitting plant biomass, changes in species composition and the following increase in the amount of leaf litter (Valolahti et al. 2015). In other cases, the responses appeared before any vegetation changes took place (Lindwall et al. 2016) or even despite a decrease in plant biomass (Kramshøj et al. 2016). VOC emissions from arctic ecosystems seem more responsive to experimental warming than other ecosystem processes. We can thus expect large increases in future VOC emissions from this area due to the direct effects of temperature increase, and due to increasing plant biomass and a longer growing season. References Kramshøj M., Vedel-Petersen I., Schollert M., Rinnan

  11. Two-photon-excited fluorescence (TPEF) and fluorescence lifetime imaging (FLIM) with sub-nanosecond pulses and a high analog bandwidth signal detection

    Science.gov (United States)

    Eibl, Matthias; Karpf, Sebastian; Hakert, Hubertus; Weng, Daniel; Huber, Robert

    2017-02-01

    Two-photon excited fluorescence (TPEF) microscopy and fluorescence lifetime imaging (FLIM) are powerful imaging techniques in bio-molecular science. The need for elaborate light sources for TPEF and speed limitations for FLIM, however, hinder an even wider application. We present a way to overcome this limitations by combining a robust and inexpensive fiber laser for nonlinear excitation with a fast analog digitization method for rapid FLIM imaging. The applied sub nanosecond pulsed laser source is synchronized to a high analog bandwidth signal detection for single shot TPEF- and single shot FLIM imaging. The actively modulated pulses at 1064nm from the fiber laser are adjustable from 50ps to 5ns with kW of peak power. At a typically applied pulse lengths and repetition rates, the duty cycle is comparable to typically used femtosecond pulses and thus the peak power is also comparable at same cw-power. Hence, both types of excitation should yield the same number of fluorescence photons per time on average when used for TPEF imaging. However, in the 100ps configuration, a thousand times more fluorescence photons are generated per pulse. In this paper, we now show that the higher number of fluorescence photons per pulse combined with a high analog bandwidth detection makes it possible to not only use a single pulse per pixel for TPEF imaging but also to resolve the exponential time decay for FLIM. To evaluate the performance of our system, we acquired FLIM images of a Convallaria sample with pixel rates of 1 MHz where the lifetime information is directly measured with a fast real time digitizer. With the presented results, we show that longer pulses in the many-10ps to nanosecond regime can be readily applied for TPEF imaging and enable new imaging modalities like single pulse FLIM.

  12. Spectroscopic and electric dipole properties of Sr+Ar and SrAr systems including high excited states

    Science.gov (United States)

    Hamdi, Rafika; Abdessalem, Kawther; Dardouri, Riadh; Al-Ghamdi, Attieh A.; Oujia, Brahim; Gadéa, Florent Xavier

    2018-01-01

    The spectroscopic properties of the fundamental and several excited states of Sr+Ar and SrAr, Van der Waals systems are investigated by employing an ab initio method in a pseudo-potential approach. The potential energy curves and the spectroscopic parameters are displayed for the 1–10 2Σ+, 1–6 2Π and 1–3 2Δ electronic states of the Sr+Ar molecule and for the 1–6 1Σ+, 1–4 3Σ+, 1–3 1,3Π and 1–3 1,3Δ states of the neutral molecule SrAr. In addition, from these curves, the vibrational levels and their energy spacing are deduced for Σ+, Π and Δ symmetries. The spectra of the permanent and transition dipole moments are studied for the 1,3Σ+ states of SrAr, which are considered to be two-electron systems and 2Σ+ states of the single electron Sr+Ar ion. The spectroscopic parameters obtained for each molecular system are compared with previous theoretical and experimental works. A significant correlation revealed the accuracy of our results.

  13. High excitation photoluminescence effects as a probing tool for the growth of Cu(In,Ga)Se2

    Science.gov (United States)

    Moret, Matthieu; Briot, Olivier; Gil, Bernard; Lepetit, Thomas; Arzel, Ludovic; Barreau, Nicolas

    2015-03-01

    Copper Indium Gallium deSelenide (Cu(In,Ga)Se2, CIGS) is a promising material for cost-efficient solar cells. Efficiencies above 20% have already been demonstrated in laboratory, and large area CIGS solar panels are already on the market. However, it is still an interesting issue to find efficient characterization techniques that can be used to validate the quality of the different layers at any step of the process, without having to process a complete cell and measure its electrical properties. In this work, we have deposited CIGS onto Mo coated soda lime glass by co-evaporation, using the so-called three step deposition process. Then, photoluminescence (PL) measurements were made on the samples, in the range of 10K to the room temperature, and the excitation intensity was varied in a very large range, in order to reach non-linear regime. We report the first observation of stimulated emission in mechanisms are discussed. The threshold at which sample photoluminescence changes from spontaneous to stimulated is well known to be sensitive to overall sample quality, and we propose to use this measurement as a probing tool for sample quality. This opens an interesting perspective for characterization of CIGS during solar cell processing.

  14. Exotic nuclear excitations

    CERN Document Server

    Pancholi, S C

    2011-01-01

    By providing the reader with a foundational background in high spin nuclear structure physics and exploring exciting current discoveries in the field, this book presents new phenomena in a clear and compelling way. The quest for achieving the highest spin states has resulted in some remarkable successes which this monograph will address in comprehensive detail. The text covers an array of pertinent subject matter, including the rotational alignment and bandcrossings, magnetic rotation, triaxial strong deformation and wobbling motion and chirality in nuclei. Dr. Pancholi offers his readers a clearly-written and up-to-date treatment of the topics covered. The prerequisites for a proper appreciation are courses in nuclear physics and nuclear models and measurement techniques of observables like gamma-ray energies, intensities, multi-fold coincidences, angular correlations or distributions, linear polarization, internal conversion coefficients, short lifetime (pico-second range) of excited states etc. and instrum...

  15. Laboratory study of high performance curing compounds for concrete pavements : phase I.

    Science.gov (United States)

    2012-06-01

    Three emulsion-type and two sealing-type curing compounds were evaluated for their ability to impart freezethaw : scaling resistance, and restrict evaporation, carbonation and chloride penetration to concrete specimens : prepared to represent common ...

  16. Towards a systematic assessment of assay interference: Identification of extensively tested compounds with high assay promiscuity

    National Research Council Canada - National Science Library

    Gilberg Erik; Stumpfe Dagmar; Bajorath Jürgen

    2017-01-01

    A large-scale statistical analysis of hit rates of extensively assayed compounds is presented to provide a basis for a further assessment of assay interference potential and multi-target activities...

  17. Optical evidence of quantum rotor orbital excitations in orthorhombic manganites

    Energy Technology Data Exchange (ETDEWEB)

    Kovaleva, N. N., E-mail: nkovaleva@sci.lebedev.ru [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation); Kugel, K. I. [Loughborough University, Department of Physics (United Kingdom); Potůček, Z. [Czech Technical University (Czech Republic); Kusmartseva, O. E. [Loughborough University, Department of Physics (United Kingdom); Goryachev, N. S. [Russian Academy of Sciences, Institute of Problems in Chemical Physics (Russian Federation); Bryknar, Z. [Czech Technical University (Czech Republic); Demikhov, E. I. [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation); Trepakov, V. A.; Dejneka, A. [Academy of Sciences of the Czech Republic, Institute of Physics (Czech Republic); Kusmartsev, F. V. [Loughborough University, Department of Physics (United Kingdom); Stoneham, A. M. [University College London, London Centre for Nanotechnology (United Kingdom)

    2016-05-15

    In magnetic compounds with Jahn–Teller (JT) ions (such as Mn{sup 3+} or Cu{sup 2+}), the ordering of the electron or hole orbitals is associated with cooperative lattice distortions. There the role of JT effect, although widely recognized, is still elusive in the ground state properties. Here we discovered that, in these materials, there exist excitations whose energy spectrum is described in terms of the total angular momentum eigenstates and is quantized as in quantum rotors found in JT centers. We observed features originating from these excitations in the optical spectra of a model compound LaMnO{sub 3} using ellipsometry technique. They appear clearly as narrow sidebands accompanying the electron transition between the JT split orbitals at neighboring Mn{sup 3+} ions, displaying anomalous temperature behavior around the Néel temperature T{sub N} ≈ 140 K. We present these results together with new experimental data on photoluminescence found in LaMnO{sub 3}, which lend additional support to the ellipsometry implying the electronic-vibrational origin of the quantum rotor orbital excitations. We note that the discovered orbital excitations of quantum rotors may play an important role in many unusual properties observed in these materials upon doping, such as high-temperature superconductivity and colossal magnetoresistance.

  18. Membrane processes application on the Symphytum officinale and Geranium robertianum extracts concentration to obtain high antioxidative activity compounds

    Directory of Open Access Journals (Sweden)

    Paun Gabriela

    2012-01-01

    Full Text Available The paper reports the successful application of membranes processes to obtain the good quality extracts with compounds of high antioxidative activity and therapeutic value. This study provided investigations on the phenolic compounds from two plant species used in Romanian ethno-medicine and evaluated the antioxidant and cytotoxic activities. Three extracts prepared from Geranium robertianum and Symphytum officinale were concentrated by microfiltration and ultrafiltration. The levels of phenolic compounds and flavonoids were determined by UV-Vis spectroscopy and HPLC. The freeradical scavenging activity of concentrated extracts was determined by DPPH method. The preliminary tests of cytotoxic activity for the concentrated extracts have been carried out on human epidermoid laryngeal carcinoma cell line (Hep-2p and normal monkey kidneys cells (RM. The results showed that all concentrated extracts had a very low cytotoxicity against healthy cells, but a significant cytotoxic effect on Hep-2p tumor cells. The concentrated extracts have a high antioxidant activity (% DPPH inhibition > 80%.

  19. Design and implementation of improved LsCpLp resonant circuit for power supply for high-power electromagnetic acoustic transducer excitation

    Science.gov (United States)

    Zao, Yongming; Ouyang, Qi; Chen, Jiawei; Zhang, Xinglan; Hou, Shuaicheng

    2017-08-01

    This paper investigates the design and implementation of an improved series-parallel inductor-capacitor-inductor (LsCpLp) resonant circuit power supply for excitation of electromagnetic acoustic transducers (EMATs). The main advantage of the proposed resonant circuit is the absence of a high-permeability dynamic transformer. A high-frequency pulsating voltage gain can be achieved through a double resonance phenomenon. Both resonant tailing behavior and higher harmonics are suppressed by the improved resonant circuit, which also contributes to the generation of ultrasonic waves. Additionally, the proposed circuit can realize impedance matching and can also optimize the transduction efficiency. The complete design and implementation procedure for the power supply is described and has been validated by implementation of the proposed power supply to drive a portable EMAT. The circuit simulation results show close agreement with the experimental results and thus confirm the validity of the proposed topology. The proposed circuit is suitable for use as a portable EMAT excitation power supply that is fed by a low-voltage source.

  20. Excitation thresholds of field-aligned irregularities and associated ionospheric hysteresis at very high latitudes observed using SPEAR-induced HF radar backscatter

    Directory of Open Access Journals (Sweden)

    D. M. Wright

    2009-07-01

    Full Text Available On 10 October 2006 the SPEAR high power radar facility was operated in a power-stepping mode where both CUTLASS radars were detecting backscatter from the SPEAR-induced field-aligned irregularities (FAIs. The effective radiated power of SPEAR was varied from 1–10 MW. The aim of the experiment was to investigate the power thresholds for excitation (Pt and collapse (Pc of artificially-induced FAIs in the ionosphere over Svalbard. It was demonstrated that FAI could be excited by a SPEAR ERP of only 1 MW, representing only 1/30th of SPEAR's total capability, and that once created the irregularities could be maintained for even lower powers. The experiment also demonstrated that the very high latitude ionosphere exhibits hysteresis, where the down-going part of the power cycle provided a higher density of irregularities than for the equivalent part of the up-going cycle. Although this second result is similar to that observed previously by CUTLASS in conjunction with the Tromsø heater, the same is not true for the equivalent incoherent scatter measurements. The EISCAT Svalbard Radar (ESR failed to detect any hysteresis in the plasma parameters over Svalbard in stark contract with the measurements made using the Tromsø UHF.

  1. Excitation of Artificial Ionospheric Turbulence in the High-Latitude Ionospheric F Region as a Function of the Eiscat/Heating Effective Radiated Power

    Science.gov (United States)

    Borisova, T. D.; Blagoveshchenskaya, N. F.; Yeoman, T. K.; Häggström, I.

    2017-10-01

    We present the results of experimental studies of the parameters of HF-enhanced ion-acoustic and Langmuir plasma waves, as well as small-scale artificial field-aligned irregularities (AFAIs) when the EISCAT/Heating effective radiated power is varied from 10 to 560 MW. In the course of the experiments, a high-power HF radio wave with the alternating ordinary (O-mode) and extraordinary (X-mode) polarizations was radiated towards the magnetic zenith at a frequency of 7.953 MHz lying below the cutoff frequency of the F2 layer. A fundamental difference in the development of artificial ion-acoustic and Langmuir turbulence, which is seen as HF-enhanced ion and plasma lines in the EISCAT spectra, under the O- and X-mode HF pumping was found. The minimum values of the HF pump-wave electric fields in the ionosphere when the HF-enhanced ion and plasma lines, as well as small-scale artificial field-aligned irregularities, start to be excited, were determined from experimental data both for the O- and X-mode HF pumping. Comparison between the experimental and theoretical threshold values of the electric field required for the excitation of artificial ionospheric turbulence in thermal, Langmuir, and ion-acoustic modes in the high-latitude ionospheric F2 layer for the O-mode HF pump wave was made.

  2. Excitation of Artificial Ionospheric Turbulence in the High-Latitude Ionospheric F Region as a Function of the Eiscat/Heating Effective Radiated Power

    Science.gov (United States)

    Borisova, T. D.; Blagoveshchenskaya, N. F.; Yeoman, T. K.; Häggström, I.

    2017-09-01

    We present the results of experimental studies of the parameters of HF-enhanced ion-acoustic and Langmuir plasma waves, as well as small-scale artificial field-aligned irregularities (AFAIs) when the EISCAT/Heating effective radiated power is varied from 10 to 560 MW. In the course of the experiments, a high-power HF radio wave with the alternating ordinary (O-mode) and extraordinary (X-mode) polarizations was radiated towards the magnetic zenith at a frequency of 7.953 MHz lying below the cutoff frequency of the F2 layer. A fundamental difference in the development of artificial ion-acoustic and Langmuir turbulence, which is seen as HF-enhanced ion and plasma lines in the EISCAT spectra, under the O- and X-mode HF pumping was found. The minimum values of the HF pump-wave electric fields in the ionosphere when the HF-enhanced ion and plasma lines, as well as small-scale artificial field-aligned irregularities, start to be excited, were determined from experimental data both for the O- and X-mode HF pumping. Comparison between the experimental and theoretical threshold values of the electric field required for the excitation of artificial ionospheric turbulence in thermal, Langmuir, and ion-acoustic modes in the high-latitude ionospheric F2 layer for the O-mode HF pump wave was made.

  3. Excitation thresholds of field-aligned irregularities and associated ionospheric hysteresis at very high latitudes observed using SPEAR-induced HF radar backscatter

    Directory of Open Access Journals (Sweden)

    D. M. Wright

    2009-07-01

    Full Text Available On 10 October 2006 the SPEAR high power radar facility was operated in a power-stepping mode where both CUTLASS radars were detecting backscatter from the SPEAR-induced field-aligned irregularities (FAIs. The effective radiated power of SPEAR was varied from 1–10 MW. The aim of the experiment was to investigate the power thresholds for excitation (Pt and collapse (Pc of artificially-induced FAIs in the ionosphere over Svalbard. It was demonstrated that FAI could be excited by a SPEAR ERP of only 1 MW, representing only 1/30th of SPEAR's total capability, and that once created the irregularities could be maintained for even lower powers. The experiment also demonstrated that the very high latitude ionosphere exhibits hysteresis, where the down-going part of the power cycle provided a higher density of irregularities than for the equivalent part of the up-going cycle. Although this second result is similar to that observed previously by CUTLASS in conjunction with the Tromsø heater, the same is not true for the equivalent incoherent scatter measurements. The EISCAT Svalbard Radar (ESR failed to detect any hysteresis in the plasma parameters over Svalbard in stark contract with the measurements made using the Tromsø UHF.

  4. High-content, high-throughput screening for the identification of cytotoxic compounds based on cell morphology and cell proliferation markers.

    Directory of Open Access Journals (Sweden)

    Heather L Martin

    Full Text Available Toxicity is a major cause of failure in drug discovery and development, and whilst robust toxicological testing occurs, efficiency could be improved if compounds with cytotoxic characteristics were identified during primary compound screening. The use of high-content imaging in primary screening is becoming more widespread, and by utilising phenotypic approaches it should be possible to incorporate cytotoxicity counter-screens into primary screens. Here we present a novel phenotypic assay that can be used as a counter-screen to identify compounds with adverse cellular effects. This assay has been developed using U2OS cells, the PerkinElmer Operetta high-content/high-throughput imaging system and Columbus image analysis software. In Columbus, algorithms were devised to identify changes in nuclear morphology, cell shape and proliferation using DAPI, TOTO-3 and phosphohistone H3 staining, respectively. The algorithms were developed and tested on cells treated with doxorubicin, taxol and nocodazole. The assay was then used to screen a novel, chemical library, rich in natural product-like molecules of over 300 compounds, 13.6% of which were identified as having adverse cellular effects. This assay provides a relatively cheap and rapid approach for identifying compounds with adverse cellular effects during screening assays, potentially reducing compound rejection due to toxicity in subsequent in vitro and in vivo assays.

  5. Organic high ionic strength aqueous two-phase solvent system series for separation of ultra-polar compounds by spiral high-speed counter-current chromatography

    Science.gov (United States)

    Zeng, Yun; Liu, Gang; Ma, Ying; Chen, Xiaoyuan; Ito, Yoichiro

    2011-01-01

    Existing two-phase solvent systems for high-speed countercurrent chromatography cover the separation of hydrophobic to moderately polar compounds, but often fail to provide suitable partition coefficient values for highly polar compounds such as sulfonic acids, catecholamines and zwitter ions. The present paper introduces a new solvent series which can be applied for the separation of these polar compounds. It is composed of 1-butanol, ethanol, saturated ammonium sulfate and water at various volume ratios and consists of a series of 10 steps which are arranged according to the polarity of the solvent system so that the two-phase solvent system with suitable K values for the target compound(s) can be found in a few steps. Each solvent system gives proper volume ratio and high density difference between the two phases to provide a satisfactory level of retention of the stationary phase in the spiral column assembly. The method is validated by partition coefficient measurement of four typical polar compounds including methyl green (basic dye), tartrazine (sulfonic acid), tyrosine (zwitter ion) and epinephrine (a catecholamine), all of which show low partition coefficient values in the polar 1-butanol-water system. The capability of the method is demonstrated by separation of three catecholamines. PMID:22033108

  6. Improved Underwater Excitation-Emission Matrix Fluorometer

    Science.gov (United States)

    Moore, Casey; daCunha, John; Rhoades, Bruce; Twardowski, Michael

    2007-01-01

    A compact, high-resolution, two-dimensional excitation-emission matrix fluorometer (EEMF) has been designed and built specifically for use in identifying and measuring the concentrations of organic compounds, including polluting hydrocarbons, in natural underwater settings. Heretofore, most EEMFs have been designed and built for installation in laboratories, where they are used to analyze the contents of samples collected in the field and brought to the laboratories. Because the present EEMF can be operated in the field, it is better suited to measurement of spatially and temporally varying concentrations of substances of interest. In excitation-emission matrix (EEM) fluorometry, fluorescence is excited by irradiating a sample at one or more wavelengths, and the fluorescent emission from the sample is measured at multiple wavelengths. When excitation is provided at only one wavelength, the technique is termed one-dimensional (1D) EEM fluorometry because the resulting matrix of fluorescence emission data (the EEM) contains only one row or column. When excitation is provided at multiple wavelengths, the technique is termed two-dimensional (2D) EEM fluorometry because the resulting EEM contains multiple rows and columns. EEM fluorometry - especially the 2D variety - is well established as a means of simultaneously detecting numerous dissolved and particulate compounds in water. Each compound or pool of compounds has a unique spectral fluorescence signature, and each EEM is rich in information content, in that it can contain multiple fluorescence signatures. By use of deconvolution and/or other mixture-analyses techniques, it is often possible to isolate the spectral signature of compounds of interest, even when their fluorescence spectra overlap. What distinguishes the present 2D EEMF over prior laboratory-type 2D EEMFs are several improvements in packaging (including a sealed housing) and other aspects of design that render it suitable for use in natural underwater

  7. Synthesis, Modelling, and Anticonvulsant Studies of New Quinazolines Showing Three Highly Active Compounds with Low Toxicity and High Affinity to the GABA-A Receptor

    Directory of Open Access Journals (Sweden)

    Mohamed F. Zayed

    2017-01-01

    Full Text Available Some novel fluorinated quinazolines (5a–j were designed and synthesized to be evaluated for their anticonvulsant activity and their neurotoxicity. Structures of all newly synthesized compounds were confirmed by their infrared (IR, mass spectrometry (MS spectra, 1H nuclear magnetic resonance (NMR, 13C-NMR, and elemental analysis (CHN. The anticonvulsant activity was evaluated by a subcutaneous pentylenetetrazole (scPTZ test and maximal electroshock (MES-induced seizure test, while neurotoxicity was evaluated by a rotorod test. The molecular docking was performed for all newly-synthesized compounds to assess their binding affinities to the GABA-A receptor in order to rationalize their anticonvulsant activities in a qualitative way. The data obtained from the molecular modeling was correlated with that obtained from the biological screening. These data showed considerable anticonvulsant activity for all newly-synthesized compounds. Compounds 5b, 5c, and 5d showed the highest binding affinities toward the GABA-A receptor, along with the highest anticonvulsant activities in experimental mice. These compounds also showed low neurotoxicity and low toxicity in the median lethal dose test compared to the reference drugs. A GABA enzymatic assay was performed for these highly active compounds to confirm the obtained results and explain the possible mechanism for anticonvulsant action. The most active compounds might be used as leads for future modification and optimization.

  8. Effects of high hydrostatic pressure and thermal processing on bioactive compounds, antioxidant activity, and volatile profile of mulberry juice.

    Science.gov (United States)

    Wang, Fan; Du, Bao-Lei; Cui, Zheng-Wei; Xu, Li-Ping; Li, Chun-Yang

    2017-03-01

    The aim of this study was to investigate the effects of high hydrostatic pressure and thermal processing on microbiological quality, bioactive compounds, antioxidant activity, and volatile profile of mulberry juice. High hydrostatic pressure processing at 500 MPa for 10 min reduced the total viable count from 4.38 log cfu/ml to nondetectable level and completely inactivated yeasts and molds in raw mulberry juice, ensuring the microbiological safety as thermal processing at 85 ℃ for 15 min. High hydrostatic pressure processing maintained significantly (p pressure processing enhanced the volatile compound concentrations of mulberry juice while thermal processing reduced them in comparison with the control. These results suggested that high hydrostatic pressure processing could be an alternative to conventional thermal processing for production of high-quality mulberry juice.

  9. An automatic approach towards modal parameter estimation for high-rise buildings of multicomponent signals under ambient excitations via filter-free Random Decrement Technique

    Science.gov (United States)

    Nasser, Fatima; Li, Zhongyang; Martin, Nadine; Gueguen, Philippe

    2016-03-01

    This paper proposes an automatic modal analysis approach for signals of high-rise buildings recorded under real-world ambient excitations. The fact of working over such type of signals is faced with several challenges: the time-domain convolution between the system impulse response and the seismic noise, the existence of several components, the presence of closely-spaced frequency modes, with high additive noises, and low, exponential and damped amplitudes. The proposed approach handles these challenges simultaneously without the need for a user intervention. It is based on a filter-free Random Decrement Technique to estimate the free-decay response, followed by a spectral-based method for a rough modal estimate and finalized by a Maximum-Likelihood Estimation process to refine the modal estimates. Each of these processes is responsible to tackle one or more of the aforementioned challenges in the aim to provide an automatic and moreover a reliable modal analysis of the studied signals.

  10. High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials.

    Science.gov (United States)

    Petousis, Ioannis; Mrdjenovich, David; Ballouz, Eric; Liu, Miao; Winston, Donald; Chen, Wei; Graf, Tanja; Schladt, Thomas D; Persson, Kristin A; Prinz, Fritz B

    2017-01-31

    Dielectrics are an important class of materials that are ubiquitous in modern electronic applications. Even though their properties are important for the performance of devices, the number of compounds with known dielectric constant is on the order of a few hundred. Here, we use Density Functional Perturbation Theory as a way to screen for the dielectric constant and refractive index of materials in a fast and computationally efficient way. Our results constitute the largest dielectric tensors database to date, containing 1,056 compounds. Details regarding the computational methodology and technical validation are presented along with the format of our publicly available data. In addition, we integrate our dataset with the Materials Project allowing users easy access to material properties. Finally, we explain how our dataset and calculation methodology can be used in the search for novel dielectric compounds.

  11. Theoretical studies on the reaction pathways of electronically excited DAAF

    Energy Technology Data Exchange (ETDEWEB)

    Quenneville, Jason M [Los Alamos National Laboratory; Moore, David S [Los Alamos National Laboratory

    2009-01-01

    The use of temporally and spectrally shaped ultrafast laser pulses to initiate, as well as detect, high explosives is being explored at Los Alamos. High level ab initio calculations, presented here, are employed to help guide and interpret the experiments. The ground and first excited electronic states of 3,3{prime}-diamino-4,4{prime}-azoxyfurazan (DAAF) are investigated using complete active space self-consistent field (CASSCF) and time-dependent density functional theory (TD-DFT). The geometrical and energetic character of the excited state minima, conical intersections and reaction pathways of DAAF are described. Two radiative and two non-radiative excited state population quenching mechanisms are outlined, and possible pathways for photochemical and spectroscopic control are discussed. The use of laser light to control chemical reactions has many applications. The initiation and the detection of explosives are two such applications currently under development at Los Alamos. Though inherently experimental, the project can be aided by theory through both prediction and interpretation. When the laser light is in the UV/visible region of the electromagnetic spectrum, the absorbing molecule is excited electronically and excitation decay may occur either radiatively (fluorescence or phosphorescence) or non-radiatively (through internal conversion). In many cases decay of the excitation occurs through a mixture of processes, and maximizing the desired result requires sophisticated laser pulses whose amplitude has been optimally modulated in time and/or frequency space. Control of cis-stilbene photochemistry was recently demonstrated in our group, and we aim to extend this work to high explosive compounds. Maximizing radiative decay leads to increased fluorescence quantum yields and enhances the possibility of spectral detection of the absorbing molecule. Maximizing non-radiative decay can lead to chemistry, heating of the sample and possibly detonation initiation in

  12. 1-Ethyl-3-methylimidazolium acetate as a highly efficient organocatalyst for cyanosilylation of carbonyl compounds with trimethylsilyl cyanide

    Science.gov (United States)

    Ullah, Bakhtar; Chen, Jingwen; Zhang, Zhiguo; Xing, Huabin; Yang, Qiwei; Bao, Zongbi; Ren, Qilong

    2017-02-01

    1-Ethyl-3-methylimidazolium acetate is introduced as a robust organocatalyst for solvent-free cyanosilylation of carbonyl compounds with trimethylsilyl cyanide (TMSCN). The catalyst loading can be reduced to as low as 0.1-0.0001 mol % under mild reaction conditions, giving considerably high TOF values from 10,843 h-1 to 10,602,410 h-1 in the field of organocatalyzed transformations. The present protocol not only tolerates with extensive carbonyl compounds but also provides somewhat insight into the mechanism of ionic liquids (ILs)-catalyzed reactions.

  13. High-throughput screening for compounds that modulate the cellular c-di-GMP level in bacteria

    DEFF Research Database (Denmark)

    Groizeleau, Julie; Andersen, Jens Bo; Givskov, Michael

    2017-01-01

    . The secondary messenger c-di-GMP is a positive regulator of biofilm formation in many clinically relevant bacteria, and it is assumed that drugs that lower the intracellular level of c-di-GMP will force biofilm bacteria into a more treatable planktonic lifestyle. We describe a protocol for high......-throughput screening of chemical libraries for compounds that lower the c-di-GMP level in bacteria, and potentially can serve as lead compounds in the development of novel biofilm dismantling drugs....

  14. Simultaneous two-photon excitation of photodynamic therapy agents

    Energy Technology Data Exchange (ETDEWEB)

    Wachter, E.A.; Fisher, W.G. [Oak Ridge National Lab., TN (United States)]|[Photogen, Inc., Knoxville, TN (United States); Partridge, W.P. [Oak Ridge National Lab., TN (United States); Dees, H.C. [Photogen, Inc., Knoxville, TN (United States); Petersen, M.G. [Univ. of Tennessee, Knoxville, TN (United States). College of Veterinary Medicine

    1998-01-01

    The spectroscopic and photochemical properties of several photosensitive compounds are compared using conventional single-photon excitation (SPE) and simultaneous two-photon excitation (TPE). TPE is achieved using a mode-locked titanium:sapphire laser, the near infrared output of which allows direct promotion of non-resonant TPE. Excitation spectra and excited state properties of both type 1 and type 2 photodynamic therapy (PDT) agents are examined.

  15. Theoretical study of the dynamics and kinetics of the O + CS → CO + S chemical laser reaction, where CO shows a very high vibrational excitation.

    Science.gov (United States)

    Gamallo, Pablo; Francia, Rafael; Martínez, Rodrigo; Sayós, Ramón; González, Miguel

    2012-12-06

    The dynamics and kinetics of the O((3)P) + CS(X(1)Σ(+)) → CO(X(1)Σ(+)) + S((3)P) chemical laser reaction was studied theoretically in detail for the first time, as a function of collision energy (0.0388-2.0 eV) and rovibrational excitation of CS. This was made using the quasi-classical trajectory (QCT) method and employing the best ab initio analytical ground potential energy surface (1(3)A' PES) available. A broad set of properties was determined, including scalar and vector properties, and the reaction mode. The behaviors observed and the considerable formation of OCS collision complexes were interpreted from some characteristics of the PES (early barrier, shallow minimum in the exit channel, and high exoergicity (mainly channeled into CO vibration; up to ∼81% of the available energy)) and the kinematics. The QCT vibrational and rotational CO populations and the vector properties show a quite good agreement with experiments, but the QCT rate constants disagree. To better account for the kinetics, we performed CASPT2/aug-cc-pVTZ ab initio calculations on the stationary points along the minimum energy path of the ground and first excited (1(3)A'') PESs. The transition state theory, which can be satisfactorily applied here, leads to rate constants (100-2000 K) that are quite close to the measured ones, where comparison is possible (150-300 K). We expect that these results will encourage further theoretical and experimental developments.

  16. Stereochemistry of some high coordination compounds of dioxouranium(VI) With thiosemicarbazones

    OpenAIRE

    Agarwal, Ram K. [رام اجراول; Agarwal, Himanshu; Chakraborti, Indranil

    1994-01-01

    The UO2 ion is peculiar in its coordination behaviour, because of its inherent capacity of forming compounds with higher coordination number. In the present work we describe the synthesis of a series of eight, nine and ten coordinated compounds of dioxouranium(VI) with 4[N-(2'-nitrobenzalidene)- amino] antipyrinethiosemicarbazone (2'-NO2BAAPT) and 4[N-(3'-nitrobenzalidene) amino] antipyrinethiosemicarbazone (3'-NO2BAAPT) with the general composition UO2X2.nL (X = Br, I, NCS or CIO4, n=2; X = ...

  17. High resolution UHPLC-MS characterization and isolation of main compounds from the antioxidant medicinal plant Parastrephia lucida (Meyen

    Directory of Open Access Journals (Sweden)

    Carlos Echiburu-Chau

    2017-11-01

    Full Text Available High-resolution mass spectrometry is currently used to determine the mass of biologically active compounds in medicinal plants and food and UHPLC-Orbitrap is a relatively new technology that allows fast fingerprinting and metabolomics analysis. Forty-two metabolites including several phenolic acids, flavonoids, coumarines, tremetones and ent-clerodane diterpenes were accurately identified for the first time in the resin of the medicinal plant Parastrephia lucida (Asteraceae a Chilean native species, commonly called umatola, collected in the pre-cordillera and altiplano regions of northern Chile, by means of UHPLC-PDA-HR-MS. This could be possible by the state of the art technology employed, which allowed well resolved total ion current peaks and the proposal of some biosynthetic relationships between the compounds detected. Some mayor compounds were also isolated using HSCCC. The ethanolic extract showed high total polyphenols content and significant antioxidant capacity. Furthermore, several biological assays were performed that determined the high antioxidant capacity found for the mayor compound isolated from the plant, 11- p-coumaroyloxyltremetone.

  18. High content screening of a kinase-focused library reveals compounds broadly-active against dengue viruses.

    Directory of Open Access Journals (Sweden)

    Deu John M Cruz

    Full Text Available Dengue virus is a mosquito-borne flavivirus that has a large impact in global health. It is considered as one of the medically important arboviruses, and developing a preventive or therapeutic solution remains a top priority in the medical and scientific community. Drug discovery programs for potential dengue antivirals have increased dramatically over the last decade, largely in part to the introduction of high-throughput assays. In this study, we have developed an image-based dengue high-throughput/high-content assay (HT/HCA using an innovative computer vision approach to screen a kinase-focused library for anti-dengue compounds. Using this dengue HT/HCA, we identified a group of compounds with a 4-(1-aminoethyl-N-methylthiazol-2-amine as a common core structure that inhibits dengue viral infection in a human liver-derived cell line (Huh-7.5 cells. Compounds CND1201, CND1203 and CND1243 exhibited strong antiviral activities against all four dengue serotypes. Plaque reduction and time-of-addition assays suggests that these compounds interfere with the late stage of viral infection cycle. These findings demonstrate that our image-based dengue HT/HCA is a reliable tool that can be used to screen various chemical libraries for potential dengue antiviral candidates.

  19. Current technologies and new insights for the recovery of high valuable compounds from fruits by-products.

    Science.gov (United States)

    Ferrentino, Giovanna; Asaduzzaman, Md; Scampicchio, Matteo Mario

    2018-02-11

    The recovery of high valuable compounds from food waste is becoming a tighten issue in food processing. The large amount of non-edible residues produced by food industries causes pollution, difficulties in the management, and economic loss. The waste produced during the transformation of fruits includes a huge amount of materials such as peels, seeds, and bagasse, whose disposal usually represents a problem. Research over the past 20 years revealed that many food wastes could serve as a source of potentially valuable bioactive compounds, such as antioxidants and vitamins with increasing scientific interest thanks to their beneficial effects on human health. The challenge for the recovery of these compounds is to find the most appropriate and environment friendly extraction technique able to achieve the maximum extraction yield without compromising the stability of the extracted products. Based on this scenario, the aim of the current review is twofold. The first is to give a brief overview of the most important bioactive compounds occurring in fruit wastes. The second is to describe the pro and cons of the most up-to-dated innovative and environment friendly extraction technologies that can be an alternative to the classical solvent extraction procedures for the recovery of valuable compounds from fruit processing. Furthermore, a final section will take into account published findings on the combination of some of these technologies to increase the extracts yields of bioactives.

  20. Nanoliposomal carriers for improvement the bioavailability of high - valued phenolic compounds of pistachio green hull extract.

    Science.gov (United States)

    Rafiee, Zahra; Barzegar, Mohsen; Sahari, Mohammad Ali; Maherani, Behnoush

    2017-04-01

    In present study, nanoliposomes were prepared by thin hydration method with different concentrations of phenolic compounds (500, 750 and 1000ppm) of pure extract and lecithin (1, 2 and 3%w/w) and characterized by considering the particle size, polydispersity index (PDI), zeta potential, encapsulation efficiency (EE) and morphology. The results showed that nanoliposome (90.39-103.78nm) had negative surface charge varied from -51.5±0.9 to -40.2±0.2mV with a narrow size distribution (PDI≈0.069-0.123). Nanoliposomes composed of 1% lecithin with 1000ppm of phenolic compounds had the highest EE (52.93%). The FTIR analysis indicated the formation of hydrogen bonds between the polar zone of phospholipid and the OH groups of phenolic compounds. Phenolic compounds also increased phase transition temperature (Tc) of nanoliposomes (2.01-7.24°C). Moreover, nanoliposomes had considerable stability during storage. Consequently, liposome is an efficient carrier for protection and improving PGHE biofunctional actives in foodstuffs. Copyright © 2016 Elsevier Ltd. All rights reserved.

  1. Identification of novel compounds inhibiting chikungunya virus-induced cell death by high throughput screening of a kinase inhibitor library.

    Directory of Open Access Journals (Sweden)

    Deu John M Cruz

    Full Text Available Chikungunya virus (CHIKV is a mosquito-borne arthrogenic alphavirus that causes acute febrile illness in humans accompanied by joint pains and in many cases, persistent arthralgia lasting weeks to years. The re-emergence of CHIKV has resulted in numerous outbreaks in the eastern hemisphere, and threatens to expand in the foreseeable future. Unfortunately, no effective treatment is currently available. The present study reports the use of resazurin in a cell-based high-throughput assay, and an image-based high-content assay to identify and characterize inhibitors of CHIKV-infection in vitro. CHIKV is a highly cytopathic virus that rapidly kills infected cells. Thus, cell viability of HuH-7 cells infected with CHIKV in the presence of compounds was determined by measuring metabolic reduction of resazurin to identify inhibitors of CHIKV-associated cell death. A kinase inhibitor library of 4,000 compounds was screened against CHIKV infection of HuH-7 cells using the resazurin reduction assay, and the cell toxicity was also measured in non-infected cells. Seventy-two compounds showing ≥50% inhibition property against CHIKV at 10 µM were selected as primary hits. Four compounds having a benzofuran core scaffold (CND0335, CND0364, CND0366 and CND0415, one pyrrolopyridine (CND0545 and one thiazol-carboxamide (CND3514 inhibited CHIKV-associated cell death in a dose-dependent manner, with EC50 values between 2.2 µM and 7.1 µM. Based on image analysis, these 6 hit compounds did not inhibit CHIKV replication in the host cell. However, CHIKV-infected cells manifested less prominent apoptotic blebs typical of CHIKV cytopathic effect compared with the control infection. Moreover, treatment with these compounds reduced viral titers in the medium of CHIKV-infected cells by up to 100-fold. In conclusion, this cell-based high-throughput screening assay using resazurin, combined with the image-based high content assay approach identified compounds against

  2. The compound Chinese medicine "Kang Fu Ling" protects against high power microwave-induced myocardial injury.

    Directory of Open Access Journals (Sweden)

    Xueyan Zhang

    Full Text Available BACKGROUND: The prevention and treatment of Microwave-caused cardiovascular injury remains elusive. This study investigated the cardiovascular protective effects of compound Chinese medicine "Kang Fu Ling" (KFL against high power microwave (HPM-induced myocardial injury and the role of the mitochondrial permeability transition pore (mPTP opening in KFL protection. METHODS: Male Wistar rats (100 were divided into 5 equal groups: no treatment, radiation only, or radiation followed by treatment with KFL at 0.75, 1.5, or 3 g/kg/day. Electrocardiography was used to Electrophysiological examination. Histological and ultrastructural changes in heart tissue and isolated mitochondria were observed by light microscope and electron microscopy. mPTP opening and mitochondrial membrane potential were detected by confocal laser scanning microscopy and fluorescence analysis. Connexin-43 (Cx-43 and endothelial nitric oxide synthase (eNOS were detected by immunohistochemistry. The expression of voltage-dependent anion channel (VDAC was detected by western blotting. RESULTS: At 7 days after radiation, rats without KFL treatment showed a significantly lower heart rate (P<0.01 than untreated controls and a J point shift. Myocyte swelling and rearrangement were evident. Mitochondria exhibited rupture, and decreased fluorescence intensity, suggesting opening of mPTP and a consequent reduction in mitochondrial membrane potential. After treatment with 1.5 g/kg/day KFL for 7 d, the heart rate increased significantly (P<0.01, and the J point shift was reduced flavorfully (P<0.05 compared to untreated, irradiated rats; myocytes and mitochondria were of normal morphology. The fluorescence intensities of dye-treated mitochondria were also increased, suggesting inhibition of mPTP opening and preservation of the mitochondrial membrane potential. The microwave-induced decrease of Cx-43 and VDAC protein expression was significantly reversed. CONCLUSION: Microwave radiation can

  3. Electrical Excitation of the Pulmonary Venous Musculature May Contribute to the Formation of the Last Component of the High Frequency Signal of the P Wave

    Directory of Open Access Journals (Sweden)

    Junko Abe, MD

    2005-01-01

    Full Text Available Pulmonary veins (PVs have been shown to play an important role in the induction and perpetuation of focal AF. Fifty-one patients with AF, and 24 patients without AF as control subjects, were enrolled in this study. Signal-averaged P-wave recording was performed, and the filtered P wave duration (FPD, the root-mean-square voltage for the last 20, 30 and 40 ms (RMS20, 30, and 40, respectively were compared. In 7 patients with AF, these parameters were compared before and after the catheter ablation. The FPD was significantly longer and the RMS20 was smaller in the patients with AF than those without AF. Because RMS30 was widely distributed between 2 and 10 µV, the AF group was sub-divided into two groups; Group 1 was comprised of the patients with an RMS30 ≧5.0 µV, and group 2, <5.0 µV. In group 1, short-coupled PACs were more frequently documented on Holter monitoring, and exercise testing more readily induced AF. After successful electrical disconnection between the LA and PVs, each micropotential parameter was significantly attenuated. These results indicate that the high frequency signal amplitude of the last component of the P wave is relatively high in patients with AF triggered by focal repetitive excitations most likely originating from the PVs. That is, attenuation by the LA-PV electrical isolation, and thus the high frequency P signals of the last component, may contain the electrical excitation of the PV musculature.

  4. Real-time detection of highly oxidized organosulfates and BSOA marker compounds during the F-BEACh 2014 field study

    Science.gov (United States)

    Brüggemann, Martin; Poulain, Laurent; Held, Andreas; Stelzer, Torsten; Zuth, Christoph; Richters, Stefanie; Mutzel, Anke; van Pinxteren, Dominik; Iinuma, Yoshiteru; Katkevica, Sarmite; Rabe, René; Herrmann, Hartmut; Hoffmann, Thorsten

    2017-01-01

    The chemical composition of ambient organic aerosols was analyzed using complementary mass spectrometric techniques during a field study in central Europe in July 2014 (Fichtelgebirge - Biogenic Emission and Aerosol Chemistry, F-BEACh 2014). Among several common biogenic secondary organic aerosol (BSOA) marker compounds, 93 acidic oxygenated hydrocarbons were detected with elevated abundances and were thus attributed to be characteristic for the organic aerosol mass at the site. Monoterpene measurements exhibited median mixing ratios of 1.6 and 0.8 ppbV for in and above canopy levels respectively. Nonetheless, concentrations for early-generation oxidation products were rather low, e.g., pinic acid (c = 4.7 (±2.5) ng m-3). In contrast, high concentrations were found for later-generation photooxidation products such as 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA, c = 13.8 (±9.0) ng m-3) and 3-carboxyheptanedioic acid (c = 10.2 (±6.6) ng m-3), suggesting that aged aerosol masses were present during the campaign period. In agreement, HYSPLIT trajectory calculations indicate that most of the arriving air masses traveled long distances (>  1500 km) over land with high solar radiation. In addition, around 47 % of the detected compounds from filter sample analysis contained sulfur, confirming a rather high anthropogenic impact on biogenic emissions and their oxidation processes. Among the sulfur-containing compounds, several organosulfates, nitrooxy organosulfates, and highly oxidized organosulfates (HOOS) were tentatively identified by high-resolution mass spectrometry. Correlations among HOOS, sulfate, and highly oxidized multifunctional organic compounds (HOMs) support the hypothesis of previous studies that HOOS are formed by reactions of gas-phase HOMs with particulate sulfate. Moreover, periods with high relative humidity indicate that aqueous-phase chemistry might play a major role in HOOS production. However, for dryer periods, coinciding signals for HOOS

  5. Rearrangements in ground and excited states

    CERN Document Server

    de Mayo, Paul

    1980-01-01

    Rearrangements in Ground and Excited States, Volume 3 presents essays on the chemical generation of excited states; the cis-trans isomerization of olefins; and the photochemical rearrangements in trienes. The book also includes essays on the zimmerman rearrangements; the photochemical rearrangements of enones; the photochemical rearrangements of conjugated cyclic dienones; and the rearrangements of the benzene ring. Essays on the photo rearrangements via biradicals of simple carbonyl compounds; the photochemical rearrangements involving three-membered rings or five-membered ring heterocycles;

  6. Microalgae for high-value compounds and biofuels production: a review with focus on cultivation under stress conditions.

    Science.gov (United States)

    Markou, Giorgos; Nerantzis, Elias

    2013-12-01

    Microalgal biomass as feedstock for biofuel production is an attracting alternative to terrestrial plant utilization for biofuels production. However, today the microalgal cultivation systems for energy production purposes seem not yet to be economically feasible. Microalgae, though cultivated under stress conditions, such as nutrient starvation, high salinity, high temperature etc. accumulate considerable amounts (up to 60-65% of dry weight) of lipids or carbohydrates along with several secondary metabolites. Especially some of the latter are valuable compounds with an enormous range of industrial applications. The simultaneous production of lipids or carbohydrates for biofuel production and of secondary metabolites in a biorefinery concept might allow the microalgal production to be economically feasible. This paper aims to provide a review on the available literature about the cultivation of microalgae for the accumulation of high-value compounds along with lipids or carbohydrates focusing on stress cultivation conditions. © 2013.

  7. Cold Gas in High-z Galaxies: The CO Gas Excitation Ladder and the need for the ngVLA

    Science.gov (United States)

    Casey, Caitlin M.; Champagne, Jaclyn; Narayanan, Desika; Davé, Romeel; Hung, Chao-Ling; Carilli, Chris; Murphy, Eric Joseph; Decarli, Roberto; Popping, Gergo; Riechers, Dominik A.; Somerville, Rachel; Walter, Fabian

    2018-01-01

    We will present updated results on a community study led to understand the observable molecular gas properties of high-z galaxies. This work uses a series of high-resolution, hydrodynamic, cosmological zoom-in simulations from MUFASA, the Despotic radiative transfer code that uses simultaneous thermal and statistical equilibrium in calculating molecular and atomic level populations, and a CASA simulator which generates mock ngVLA and ALMA observations. Our work reveals a stark contrast in gas characteristics (geometry and kinematics) as measured from low-J transitions of CO to high-J transitions, demonstrating the need for the ngVLA in probing the cold gas reservoir in the highest-redshift galaxies.

  8. New concept for organic light-emitting devices under high excitations using emission from a metal-free area

    Science.gov (United States)

    Slowik, Irma; Fischer, Axel; Gutsche, Stefan; Brückner, Robert; Fröb, Hartmut; Lenk, Simone; Reineke, Sebastian; Leo, Karl

    2016-04-01

    In this work, a new organic light-emitting device (OLED) structure is proposed that allows light-emission from a metal-free device region, thus reducing the hurdles towards an electrically pumped organic solid state laser (OSL). Our design concept employs a stepwise change from a highly conductive but opaque metal part to a highly transparent but less conductive intrinsic emission layer. Here, the high current densities are localized to an area of a few micrometer in square, which is in the range of the mode volume of the transverse mode of an organic vertical-cavity surface-emitting laser (VCSEL). Besides these experimental results, we present findings from simulations which further support the feasibility of our design concept. Using an equivalent circuit approach, representing the current flow in the device, we calculate the time-dependent length of the emission zone and give estimations for appropriate material parameters.

  9. High resolution, low hν photoelectron spectroscopy with the use of a microwave excited rare gas lamp and ionic crystal filters.

    Science.gov (United States)

    Suga, S; Sekiyama, A; Funabashi, G; Yamaguchi, J; Kimura, M; Tsujibayashi, M; Uyama, T; Sugiyama, H; Tomida, Y; Kuwahara, G; Kitayama, S; Fukushima, K; Kimura, K; Yokoi, T; Murakami, K; Fujiwara, H; Saitoh, Y; Plucinski, L; Schneider, C M

    2010-10-01

    The need for not only bulk sensitive but also extremely high resolution photoelectron spectroscopy for studying detailed electronic structures of strongly correlated electron systems is growing rapidly. Moreover, easy access to such a capability in one's own laboratory is desirable. Demonstrated here is the performance of a microwave excited rare gas (Xe, Kr, and Ar) lamp combined with ionic crystal filters (sapphire, CaF(2), and LiF), which can supply three strong lines near the photon energy of hnyu hν=8.4, 10.0, and 11.6 eV, with the hν resolution of better than 600 μeV for photoelectron spectroscopy. Its performance is demonstrated on some materials by means of both angle-integrated and angle-resolved measurements.

  10. Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations

    Energy Technology Data Exchange (ETDEWEB)

    Ferreira da Silva, F.; Lange, E. [Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Limão-Vieira, P., E-mail: plimaovieira@fct.unl.pt, E-mail: michael.brunger@flinders.edu.au, E-mail: maplima@ifi.unicamp.br [Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Jones, N. C.; Hoffmann, S. V. [ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade, DK-8000 Århus C (Denmark); Hubin-Franskin, M.-J.; Delwiche, J. [Départment de Chimie, Institut de Chimie-Bât. B6C, Université de Liège, B-4000 Liège 1 (Belgium); Brunger, M. J., E-mail: plimaovieira@fct.unl.pt, E-mail: michael.brunger@flinders.edu.au, E-mail: maplima@ifi.unicamp.br [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); and others

    2015-10-14

    The electronic spectroscopy of isolated furfural (2-furaldehyde) in the gas phase has been investigated using high-resolution photoabsorption spectroscopy in the 3.5–10.8 eV energy-range, with absolute cross section measurements derived. Electron energy loss spectra are also measured over a range of kinematical conditions. Those energy loss spectra are used to derive differential cross sections and in turn generalised oscillator strengths. These experiments are supported by ab initio calculations in order to assign the excited states of the neutral molecule. The good agreement between the theoretical results and the measurements allows us to provide the first quantitative assignment of the electronic state spectroscopy of furfural over an extended energy range.

  11. High-resolution excitation and absorption spectroscopy of gas-phase p-coumaric acid: unveiling an elusive chromophore

    NARCIS (Netherlands)

    Smolarek, S.; Vdovin, A.; Perrier, D.L.; Smit, J.P.; Drabbels, M.; Buma, W.J.

    2010-01-01

    We report on the first successful high-resolution spectroscopic studies on isolated para-coumaric acid, the chromophore of the photoactive yellow protein which has become a model system for studying biological light-induced signal transduction. Employing various double-resonance multiphoton

  12. Search for high excitation energy structures in 90Zr and 208Pb, via 20Ne inelastic scattering

    NARCIS (Netherlands)

    Fortier, S.; Gales, S.; Austin, Sam M.; Benenson, W.; Crawley, G.M.; Djalali, C.; Lee, J.H.; Plicht, J. van der; Winfield, J.S.

    1987-01-01

    The inelastic scattering of 20Ne on 90Zr and 208Pb has been studied at 500 and 600 MeV incident energies. High statistics spectra were measured at the grazing angle. For each target, spectra at the two incident energies were compared by means of cross correlation analysis. Structures were observed

  13. High-sensitivity detection of cardiac troponin I with UV LED excitation for use in point-of-care immunoassay

    DEFF Research Database (Denmark)

    Rodenko, Olga; Eriksson, Susann; Tidemand-Lichtenberg, Peter

    2017-01-01

    High-sensitivity cardiac troponin assay development enables determination of biological variation in healthy populations, more accurate interpretation of clinical results and points towards earlier diagnosis and rule-out of acute myocardial infarction. In this paper, we report on preliminary test...

  14. Deep tissue optical imaging of upconverting nanoparticles enabled by exploiting higher intrinsic quantum yield through use of millisecond single pulse excitation with high peak power

    DEFF Research Database (Denmark)

    Liu, Haichun; Xu, Can T.; Dumlupinar, Gökhan

    2013-01-01

    quantum yield that is utilized by upconverting nanoparticles for generating this near infrared upconversion emission. The pulsed excitation approach thus promises previously unreachable imaging depths and shorter data acquisition times compared with continuous wave excitation, while simultaneously keeping...... the possible thermal side-effects of the excitation light moderate. These key results facilitate means to break through the general shallow depth limit of upconverting-nanoparticle-based fluorescence techniques, necessary for a range of biomedical applications, including diffuse optical imaging, photodynamic...

  15. Enzymatic synthesis of bioactive compounds with high potential for cosmeceutical application.

    Science.gov (United States)

    Antonopoulou, Io; Varriale, Simona; Topakas, Evangelos; Rova, Ulrika; Christakopoulos, Paul; Faraco, Vincenza

    2016-08-01

    Cosmeceuticals are cosmetic products containing biologically active ingredients purporting to offer a pharmaceutical therapeutic benefit. The active ingredients can be extracted and purified from natural sources (botanicals, herbal extracts, or animals) but can also be obtained biotechnologically by fermentation and cell cultures or by enzymatic synthesis and modification of natural compounds. A cosmeceutical ingredient should possess an attractive property such as anti-oxidant, anti-inflammatory, skin whitening, anti-aging, anti-wrinkling, or photoprotective activity, among others. During the past years, there has been an increased interest on the enzymatic synthesis of bioactive esters and glycosides based on (trans)esterification, (trans)glycosylation, or oxidation reactions. Natural bioactive compounds with exceptional theurapeutic properties and low toxicity may offer a new insight into the design and development of potent and beneficial cosmetics. This review gives an overview of the enzymatic modifications which are performed currently for the synthesis of products with attractive properties for the cosmeceutical industry.

  16. High-pressure-induced phase transitions in the ferroelectric bis-thiourea pyridinium iodide inclusion compound

    Energy Technology Data Exchange (ETDEWEB)

    Bilski, P; Bobrowicz-Sarga, L; Czarnecki, P; Maluszynska, H; Wasicki, J [Institute of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznan (Poland); Natkaniec, I [Frank Laboratory of Neutrons Physics, JINR, 141980 Dubna (Russian Federation)

    2008-12-03

    The effect of temperature and pressure on physical properties of the ferroelectric bis-thiourea pyridinium iodide inclusion compound has been studied by dielectric spectroscopy, neutron spectroscopy, neutron powder diffractometry, single crystal x-ray diffraction and nuclear magnetic resonance (NMR). At ambient pressure two structural phase transitions have been revealed: at T{sub 1} = 161 K between phases I and II and at T{sub 2} = 141 K between phases II and III. Phase III with increasing pressure splits into two phases, IIIa and IIIb. The temperatures of the phase transitions T{sub I-II}, T{sub II-IIIa} and T{sub IIIa-IIIb} increase with increasing pressure. The p-T phase diagram constructed for this compound shows two triple points of coordinates 150 K, 100 MPa and 115 K, 100 MPa.

  17. High Temperature Advanced Structural Composites. Book 1: Executive Summary and Intermetallic Compounds

    Science.gov (United States)

    1993-04-02

    RHIPed at 12500C. 5 . JAa1u’•-_" ., Pib.r OD-. Aligned short fiber composites chn IVmade by cobiting pa r insction molding (powder extrusion) with- a s...Justification ....................... By Di-•t ibution I Availability Codes Avail and I or Dist Special DTIC QUALITY7 uzsPECTED 5 XICURITY...reprints of papers on Intermetallic Compounds. Volume two contains reprints of papers on Ceramic Matrix Composites, Fiber Processi and Properties and

  18. PREDICTION OF NEW POLYNITROGEN COMPOUNDS AND ANALOGOUS AS HIGHLY ENERGETIC MATERIALS

    OpenAIRE

    Cubas C., R.; Egresado de Maestría en Química, Facultad de Química e Ingeniería Química-Universidad Nacional Mayor de San Marcos. Lima-Perú; Cjuno H., A.; Departamento de Fisicoquimica, Facultad de Química e Ingeniería Química-Universidad Nacional Mayor de San Marcos. Lima-Perú

    2014-01-01

    In the last years, the discovery of new energetic materials has accelerated due to the use of the computational quantum chemistry, identifying innovative compounds with promising energy properties. The estimate of these, as the heat of formation, density, speed of the detonation, pressure of the detonation and sensibility, allow us in a following stage, to select to the candidates potentials for laboratory synthesis. In this paper, we study the structural, electronic and spectroscopic propert...

  19. Ultrasound-assisted green solvent extraction of high-added value compounds from microalgae Nannochloropsis spp.

    Science.gov (United States)

    Parniakov, O; Apicella, E; Koubaa, M; Barba, F J; Grimi, N; Lebovka, N; Pataro, G; Ferrari, G; Vorobiev, E

    2015-12-01

    The aim of this work was to investigate ultrasound (US)-assisted green solvent extraction of valuable compounds from the microalgae Nannochloropsis spp. Individual green solvents (water, ethanol (EtOH), dimethyl sulfoxide (DMSO)) and binary mixture of solvents (water-DMSO and water-EtOH) were used for the extraction procedures. Maximum total phenolic compounds yield (Yp ≈ 0.33) was obtained after US pre-treatment (W=400 W, 15 min), being almost 5-folds higher compared to that found for the untreated samples and aqueous extraction (Yp ≈ 0.06). The highest yield of total chlorophylls (Yc ≈ 0.043) was obtained after US (W=400 W, 7.5 min), being more than 9-folds higher than those obtained for the untreated samples and aqueous extraction (Yc ≈ 0.004). The recovery efficiency decreased as DMSO>EtOH>H2O. The optimal conditions to recover phenolic compounds and chlorophylls from microalgae were obtained after US pre-treatment (400 W, 5 min), binary mixtures of solvents (water-DMSO and water-EtOH) at 25-30%, and microalgae concentration of 10%. Copyright © 2015 Elsevier Ltd. All rights reserved.

  20. Low-Drift Coherent Population Trapping Clock Based on Laser-Cooled Atoms and High-Coherence Excitation Fields

    Science.gov (United States)

    Liu, Xiaochi; Ivanov, Eugene; Yudin, Valeriy I.; Kitching, John; Donley, Elizabeth A.

    2017-11-01

    A compact cold-atom coherent population trapping clock in which laser-cooled atoms are interrogated with highly coherent coherent population trapping fields under free fall is presented. The system achieves fractional frequency instability at the level of 3 ×10-13 on the time scale of an hour. The clock may lend itself to portable applications since the atoms typically fall only 1.6 mm during the typical interrogation period of 18 ms.

  1. Ultrasound-assisted extraction of bioactive compounds from palm pressed fiber with high antioxidant and photoprotective activities.

    Science.gov (United States)

    Dal Prá, Valéria; Lunelli, Felipe C; Vendruscolo, Raquel Guidetti; Martins, Rafael; Wagner, Roger; Lazzaretti, Ayres P; Freire, Denise M Guimarães; Alexandri, Maria; Koutinas, Apostolis; Mazutti, Marcio A; da Rosa, Marcelo Barcellos

    2017-05-01

    This work is focused on the optimization of the ultrasound-assisted extraction of antioxidant compounds with photoprotective effect from palm pressed fiber. The influence of ultrasound intensity and pulse cycle was investigated by means of a central composite rotational design. The optimized condition was ultrasound intensity of 120W.cm(-2) and pulse factor of 0.4, yielding 3.24wt%. Compounds such as fatty acids, β-sitosterol, α-tocopherol, squalene, total phenolics and carotene were identified. The extract presented antioxidant activity towards synthetic (2,2-diphenyl-1-picrylhydrazyl - DPPH, 2,2'-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid) - ABTS) and biological radicals (Hydroxyl - OH), besides a sun protection factor of 15.01. Polar extracts from palm pressed fiber are promising candidates for use in cosmetic and pharmaceutical formulation since they present high antioxidant activity towards different radicals, combined with the high sun protection factor. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. A Power-Efficient Multichannel Neural Stimulator Using High-Frequency Pulsed Excitation From an Unfiltered Dynamic Supply.

    Science.gov (United States)

    van Dongen, Marijn N; Serdijn, Wouter A

    2016-02-01

    This paper presents a neural stimulator system that employs a fundamentally different way of stimulating neural tissue compared to classical constant current stimulation. A stimulation pulse is composed of a sequence of current pulses injected at a frequency of 1 MHz for which the duty cycle is used to control the stimulation intensity. The system features 8 independent channels that connect to any of the 16 electrodes at the output. A sophisticated control system allows for individual control of each channel's stimulation and timing parameters. This flexibility makes the system suitable for complex electrode configurations and current steering applications. Simultaneous multichannel stimulation is implemented using a high frequency alternating technique, which reduces the amount of electrode switches by a factor 8. The system has the advantage of requiring a single inductor as its only external component. Furthermore it offers a high power efficiency, which is nearly independent on both the voltage over the load as well as on the number of simultaneously operated channels. Measurements confirm this: in multichannel mode the power efficiency can be increased for specific cases to 40% compared to 20% that is achieved by state-of-the-art classical constant current stimulators with adaptive power supply.

  3. Isovector monopole excitation energies

    Energy Technology Data Exchange (ETDEWEB)

    Bowman, J.D.; Lipparini, E.; Stringary, S.

    1987-11-05

    Using a hydrodynamical model whose parameters have been adjusted to fit the polarizability and excitation energy of the giant dipole nuclear resonance we predict excitation energies of the isovector monopole resonance. The predicted values are in good agreement with experimental data. The mass dependence of the excitation energy is strongly influenced by nuclear geometry.

  4. Detection and quantification of phenolic compounds in olive oil by high resolution {sup 1}H nuclear magnetic resonance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Christophoridou, Stella [NMR Laboratory, Department of Chemistry, University of Crete, P.O. Box 2208, Voutes, 71003 Heraklion, Crete (Greece); Dais, Photis [NMR Laboratory, Department of Chemistry, University of Crete, P.O. Box 2208, Voutes, 71003 Heraklion, Crete (Greece)], E-mail: dais@chemistry.uoc.gr

    2009-02-09

    High resolution {sup 1}H NMR spectroscopy has been employed as a versatile and rapid method to analyze the polar fraction of extra virgin olive oils containing various classes of phenolic compounds. The strategy for identification of phenolic compounds is based on the NMR chemical shifts of a large number of model compounds assigned by using two-dimensional (2D) NMR spectroscopy. Furthermore, 2D NMR was applied to phenolic extracts in an attempt to discover additional phenolic compounds. The {sup 1}H NMR methodology was successful in detecting simple phenols, such as p-coumaric acid, vanillic acid, homovanillyl alcohol, vanillin, free tyrosol, and free hydroxytyrosol, the flavonols apigenin and luteolin, the lignans (+) pinoresinol, (+) 1-acetoxypinoresinol and syringaresinol, two isomers of the aldehydic form of oleuropein and ligstroside, the dialdehydic form of oleuropein and ligstroside lacking a carboxymethyl group, and finally total hydroxytyrosol and total tyrosol reflecting the total amounts of free and esterified hydroxytyrol and tyrosol, respectively. The absolute amount of each phenolic constituent was determined in the polar fraction by using anhydrous 1,3,5-triazine as an internal standard.

  5. Preparation and evaluation of high dispersion stable nanocrystal formulation of poorly water-soluble compounds by using povacoat.

    Science.gov (United States)

    Yuminoki, Kayo; Seko, Fuko; Horii, Shota; Takeuchi, Haruka; Teramoto, Katsuya; Nakada, Yuichiro; Hashimoto, Naofumi

    2014-11-01

    In this study, we reported the application of Povacoat®, a hydrophilic polyvinylalcohol copolymer, as a dispersion stabilizer of nanoparticles of poorly water-soluble compounds. In addition, the influence of aggregation of the nanoparticles on their solubility and oral absorption was studied. Griseofulvin (GF) was used as a model compound with poor water solubility and was milled to nanoparticles by wet bead milling. The dispersion stability of GF milled with Povacoat® or the generally used polymers (polyvinylalcohol, hydroxypropylcellulose SSL, and polyvinylpyrrolidone K30) was compared. Milled GF suspended in Povacoat® aqueous solution with D-mannitol, added to improve the disintegration rate of freeze-dried GF, exhibited high dispersion stability without aggregation (D90 = ca. 0.220 μm), whereas milled GF suspended in aqueous solutions of the other polymers aggregated (D90 > 5 μm). Milled GF with Povacoat® showed improved aqueous solubility and bioavailability compared with the other polymers. The aggregation of nanoparticles had significant impact on the solubility and bioavailability of GF. Povacoat® also prevented the aggregation of the various milled poorly water-soluble compounds (hydrochlorothiazide and tolbutamide, etc.) more effectively than the other polymers. These results showed that Povacoat® could have wide applicability to the development of nanoformulations of poorly water-soluble compounds. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

  6. Analysis of phenolic compounds in commercial dried grape pomace by high-performance liquid chromatography electrospray ionization mass spectrometry.

    Science.gov (United States)

    Ramirez-Lopez, Lina M; DeWitt, Christina A M

    2014-09-01

    By-products obtained from winemaking processes still contain large amounts of phenolic compounds, especially phenolic acids, flavanols, flavonols, stilbenes, and flavonoids. Enzymatic hydrolysis was used for determination and characterization of phenolic acids, flavanols, flavonols, and stilbenes. Characterization of the flavonoids was achieved using acid hydrolysis with 0.1% hydrochloric acid. In addition, organic solvents as 50% methanol, 70% methanol, 50% acetone, 0.01% pectinase, and 100% petroleum ether were also evaluated. Reversed phase high-performance liquid chromatography (RP-HPLC) with diode array detector was used to identify phenolic compounds. Internal standard quantification was implemented using a five points of the UV-visible absorption data collected at the wavelength of maximum absorbance. A total of 16 phenolic compounds were determined. The content differed from 1.19 to 1124 mg kg(-1). Outcomes from HPLC study showed that gallic acid, (+) catechin hydrate, and (-) epicatechin gallate were the major phenolic compounds presented in the sample. Malvidin and pelargonidin 3-O-glucoside were the major anthocyanins monoglucosides.

  7. Determination of phenolic compounds using high-performance liquid chromatography with Ce{sup 4+}-Tween 20 chemiluminescence detection

    Energy Technology Data Exchange (ETDEWEB)

    Cui Hua; Zhou Jian; Xu Feng; Lai Chunze; Wan Guohui

    2004-05-31

    A novel method for the simultaneous determination of phenolic compounds such as salicylic acid, resorcinol, phloroglucinol, p-hydroxybenzoic acid, 2,4-dihydroxybenzoic acid, and m-nitrophenol by high-performance liquid chromatography (HPLC) coupled with chemiluminescence (CL) detection was developed. The procedure was based on the chemiluminescent enhancement by phenolic compounds of the cerium(IV)-Tween 20 system in a sulfuric acid medium. The separation was carried out with an isocratic elution or with a gradient elution using a mixture of methanol and 1.5% acetic acid. For six phenolic compounds, the detection limits (3{sigma}) were in the range 1.40-5.02 ng/ml and the relative standard deviations (n=11) for the determination of 0.1 {mu}g/ml compounds were in the range 1.9-2.9%. The CL reaction was well compatible with the mobile phase of HPLC, no baseline drift often occurred in HPLC-CL detection was observed with a gradient elution. The method has been successfully applied to the determination of salicylic acid and resorcinol in Dermatitis Clear Tincture and p-hydroxybenzoic acid in apple juices.

  8. Hafnium trifluoromethanesulfonate (hafnium triflate) as a highly efficient catalyst for chemoselective thioacetalization and transthioacetalization of carbonyl compounds.

    Science.gov (United States)

    Wu, Yan-Chao; Zhu, Jieping

    2008-12-05

    A range of carbonyl compounds including aliphatic and aromatic aldehydes and ketones were converted to the corresponding thioacetals in high yields in the presence of a catalytic amount of hafnium trifluoromethanesulfonate (0.1 mol %, room temperature). The mild conditions tolerated various sensitive functional and protecting groups and were racemization-free when applied to alpha-aminoaldehydes. Transacetalization and chemoselective thioacetalization of aromatic aldehydes in the presence of aliphatic aldehydes and ketones were also documented.

  9. High-throughput compound evaluation on 3D networks of neurons and glia in a microfluidic platform

    Science.gov (United States)

    Wevers, Nienke R.; van Vught, Remko; Wilschut, Karlijn J.; Nicolas, Arnaud; Chiang, Chiwan; Lanz, Henriette L.; Trietsch, Sebastiaan J.; Joore, Jos; Vulto, Paul

    2016-01-01

    With great advances in the field of in vitro brain modelling, the challenge is now to implement these technologies for development and evaluation of new drug candidates. Here we demonstrate a method for culturing three-dimensional networks of spontaneously active neurons and supporting glial cells in a microfluidic platform. The high-throughput nature of the platform in combination with its compatibility with all standard laboratory equipment allows for parallel evaluation of compound effects. PMID:27934939

  10. Historic records of organic compounds from a high Alpine glacier: influences of biomass burning, anthropogenic emissions, and dust transport

    Directory of Open Access Journals (Sweden)

    C. Müller-Tautges

    2016-01-01

    Full Text Available Historic records of α-dicarbonyls (glyoxal, methylglyoxal, carboxylic acids (C6–C12 dicarboxylic acids, pinic acid, p-hydroxybenzoic acid, phthalic acid, 4-methylphthalic acid, and ions (oxalate, formate, calcium were determined with annual resolution in an ice core from Grenzgletscher in the southern Swiss Alps, covering the time period from 1942 to 1993. Chemical analysis of the organic compounds was conducted using ultra-high-performance liquid chromatography (UHPLC coupled to electrospray ionization high-resolution mass spectrometry (ESI-HRMS for dicarbonyls and long-chain carboxylic acids and ion chromatography for short-chain carboxylates. Long-term records of the carboxylic acids and dicarbonyls, as well as their source apportionment, are reported for western Europe. This is the first study comprising long-term trends of dicarbonyls and long-chain dicarboxylic acids (C6–C12 in Alpine precipitation. Source assignment of the organic species present in the ice core was performed using principal component analysis. Our results suggest biomass burning, anthropogenic emissions, and transport of mineral dust to be the main parameters influencing the concentration of organic compounds. Ice core records of several highly correlated compounds (e.g., p-hydroxybenzoic acid, pinic acid, pimelic, and suberic acids can be related to the forest fire history in southern Switzerland. P-hydroxybenzoic acid was found to be the best organic fire tracer in the study area, revealing the highest correlation with the burned area from fires. Historical records of methylglyoxal, phthalic acid, and dicarboxylic acids adipic acid, sebacic acid, and dodecanedioic acid are comparable with that of anthropogenic emissions of volatile organic compounds (VOCs. The small organic acids, oxalic acid and formic acid, are both highly correlated with calcium, suggesting their records to be affected by changing mineral dust transport to the drilling site.

  11. Rotational Dependence of Intramolecular Dynamics in Acetylene at Low Vibrational Excitation as Deduced from High Resolution Spectroscopy

    Science.gov (United States)

    Perry, David S.; Miller, Anthony; Amyay, B.; Fayt, A.; Herman, M.

    2010-06-01

    The link between energy-resolved spectra and time-resolved dynamics is explored quantitatively for acetylene (12C2H2), X1Σg+ with up to 8,600 wn of vibrational energy. This comparison is based on the extensive knowledge of the vibration-rotation energy levels and on the model Hamiltonian used to fit them to high precision. Simulated intensity borrowing features in high resolution absorption spectra and predicted survival probabilities for intramolecular vibrational redistribution (IVR) are first investigated for the ν4+ν5 and ν3 bright states, for J = 2, 30 and 100. The dependence of the results on the rotational quantum number and on the choice of vibrational bright state reflects the interplay of three kinds of off-diagonal resonances: anharmonic, rotational l-type, and Coriolis. The dynamical quantities used to characterize the calculated time-dependent dynamics are the dilution factor φd, the IVR lifetime τIVR, and the recurrence time τrec. For the two bright states ν3+2ν4 and 7ν4, the collisionless dynamics for thermally averaged rotational distributions at T = 27, 270 and 500 K were calculated from the available spectroscopic data. For the 7ν4 bright state, an apparent irreversible decay of is found. In all cases, the model Hamiltonian allows a detailed calculation of the energy flow among all of the coupled zeroth-order vibration-rotation states. B. Amyay, S. Robert, M. Herman, A. Fayt, B. Raghavendra, A. Moudens, J. Thiévin, B. Rowe, and R. Georges, J. Chem. Phys., 131, 114301 (2009).

  12. Design philosophy and construction of a high concentration compound parabolic concentrator

    CSIR Research Space (South Africa)

    Roos, TH

    2010-09-01

    Full Text Available stream_source_info Roos_2010.pdf.txt stream_content_type text/plain stream_size 19653 Content-Encoding UTF-8 stream_name Roos_2010.pdf.txt Content-Type text/plain; charset=UTF-8 THE DESIGN PHILOSOPHY AND CONSTRUCTION... and actual efficiency will be determined using a hemispherical cavity calorimeter. Keywords: CPC, compound parabolic concentrator, sandwich 1. Introduction A 25m2 target-aligned research heliostat has been developed at CSIR [1] to provide the concentrated...

  13. Highly selective palladium–benzothiazole carbene-catalyzed allylation of active methylene compounds under neutral conditions

    Directory of Open Access Journals (Sweden)

    Antonio Monopoli

    2015-06-01

    Full Text Available The Pd–benzothiazol-2-ylidene complex I was found to be a chemoselective catalyst for the Tsuji–Trost allylation of active methylene compounds carried out under neutral conditions and using carbonates as allylating agents. The proposed protocol consists in a simplified procedure adopting an in situ prepared catalyst from Pd2dba3 and 3-methylbenzothiazolium salt V as precursors. A comparison of the performance of benzothiazole carbene with phosphanes and an analogous imidazolium carbene ligand is also proposed.

  14. Facile and high spatial resolution ratio-metric luminescence thermal mapping in microfluidics by near infrared excited upconversion nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yu; Li, Shunbo; Wen, Weijia, E-mail: phwen@ust.hk [Department of Physics, KAUST-HKUST Joint Micro/Nanofluidic Laboratory, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Cao, Wenbin [Nano Science and Technology Program, Department of Physics, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong)

    2016-02-01

    A local area temperature monitor is important for precise control of chemical and biological processes in microfluidics. In this work, we developed a facile method to realize micron spatial resolution of temperature mapping in a microfluidic channel quickly and cost effectively. Based on the temperature dependent fluorescence emission of NaYF{sub 4}:Yb{sup 3+}, Er{sup 3+} upconversion nanoparticles (UCNPs) under near-infrared irradiation, ratio-metric imaging of UCNPs doped polydimethylsiloxane can map detailed temperature distribution in the channel. Unlike some reported strategies that utilize temperature sensitive organic dye (such as Rhodamine) to achieve thermal sensing, our method is highly chemically inert and physically stable without any performance degradation in long term operation. Moreover, this method can be easily scaled up or down, since the spatial and temperature resolution is determined by an optical imaging system. Our method supplied a simple and efficient solution for temperature mapping on a heterogeneous surface where usage of an infrared thermal camera was limited.

  15. Generation of multiple excitons in Ag2S quantum dots: Single high-energy versus multiple-photon excitation

    KAUST Repository

    Sun, Jingya

    2014-02-20

    We explored biexciton generation via carrier multiplication (or multiple-exciton generation) by high-energy photons and by multiple-photon absorption in Ag2S quantum dots (QDs) using femtosecond broad-band transient absorption spectroscopy. Irrespective of the size of the QDs and how the multiple excitons are generated in the Ag2S QDs, two distinct characteristic time constants of 9.6-10.2 and 135-175 ps are obtained for the nonradiative Auger recombination of the multiple excitons, indicating the existence of two binding excitons, namely, tightly bound and weakly bound excitons. More importantly, the lifetimes of multiple excitons in Ag 2S QDs were about 1 and 2 orders of magnitude longer than those of comparable size PbS QDs and single-walled carbon nanotubes, respectively. This result is significant because it suggests that by utilizing an appropriate electron acceptor, there is a higher possibility to extract multiple electron-hole pairs in Ag2S QDs, which should improve the performance of QD-based solar cell devices. © 2014 American Chemical Society.

  16. A highly polarized excitable cell separates sodium channels from sodium-activated potassium channels by more than a millimeter.

    Science.gov (United States)

    Ban, Yue; Smith, Benjamin E; Markham, Michael R

    2015-07-01

    The bioelectrical properties and resulting metabolic demands of electrogenic cells are determined by their morphology and the subcellular localization of ion channels. The electric organ cells (electrocytes) of the electric fish Eigenmannia virescens generate action potentials (APs) with Na(+) currents >10 μA and repolarize the AP with Na(+)-activated K(+) (KNa) channels. To better understand the role of morphology and ion channel localization in determining the metabolic cost of electrocyte APs, we used two-photon three-dimensional imaging to determine the fine cellular morphology and immunohistochemistry to localize the electrocytes' ion channels, ionotropic receptors, and Na(+)-K(+)-ATPases. We found that electrocytes are highly polarized cells ∼ 1.5 mm in anterior-posterior length and ∼ 0.6 mm in diameter, containing ∼ 30,000 nuclei along the cell periphery. The cell's innervated posterior region is deeply invaginated and vascularized with complex ultrastructural features, whereas the anterior region is relatively smooth. Cholinergic receptors and Na(+) channels are restricted to the innervated posterior region, whereas inward rectifier K(+) channels and the KNa channels that terminate the electrocyte AP are localized to the anterior region, separated by >1 mm from the only sources of Na(+) influx. In other systems, submicrometer spatial coupling of Na(+) and KNa channels is necessary for KNa channel activation. However, our computational simulations showed that KNa channels at a great distance from Na(+) influx can still terminate the AP, suggesting that KNa channels can be activated by distant sources of Na(+) influx and overturning a long-standing assumption that AP-generating ion channels are restricted to the electrocyte's posterior face. Copyright © 2015 the American Physiological Society.

  17. Quantitative and pattern recognition analysis of five marker compounds in Raphani semen using high-performance liquid chromatography

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Yeon Woo; Lee, Joo Sang; Zhao, Bing Tian; Woo, Mi Hee; Min, Byung Sun [College of Pharmacy, Drug Research and Development Center, Catholic University of Daegu, Gyeongsan (Korea, Republic of); Kim, Jeong Ah [College of Pharmacy, Research Institute of Pharmaceutical Sciences, Kyungpook National University, Daegu (Korea, Republic of); Eun, Rhan Woo [College of Pharmacy, Chosun University, Gwangju (Korea, Republic of)

    2015-09-15

    A rapid and simple high-performance liquid chromatography (HPLC)-photodiode array (PDA) analytical method was developed for the quantitative analysis of Raphani Semen (RS). This method was successfully used to determine the five main phenolic compounds found in RS specimens from different production regions. The compounds included sinapine thiocyanate (1), β-d-fructofuranosyl-α-d-(6-O-sinapoyl)-glucopyranoside (2), isorhamnetin 3,4′-di-O-β-d-glucoside (3), β-d-(3-O-sinapoyl)-fructofuranosyl-α-d-(6-O-sinapoyl)-glucopyranoside (4), and β-d-(3,4-O-disinapoyl)-fructofuranosyl-α-d-(6-O-sinapoyl)-glucopyranoside (5). The marker compounds were separated using an Agilent Eclipse XDB-C18 column (5.0 µm, 150 × 4.6 mm i.d.) by gradient elution with acetonitrile/water/0.1% trifluoroacetic acid (TFA) as the mobile phase (flow rate, 1.0 mL/min). This method was fully validated with respect to linearity, precision, accuracy, stability, and robustness. The HPLC analytical method was validated to conduct a pattern recognition analysis by repeatedly analyzing 56 seed samples including 55 RS (C01–C49 and K50–K55) and 1 Brassicae Semen samples. In addition, a content standard for RS was proposed. Compounds 1 and 4 were revealed as major components in the HPLC chromatogram, and their contents ranged from 0.06 to 0.20 and 0.02 to 0.35 mg/g, respectively. These results demonstrate the successful development of an analytical method suitable for evaluating the quality and distinguishing the origin of RS. In addition, we briefly describe the crucial liquid chromatography-tandem mass spectrometry (LC-MS/MS) analytical conditions for the precise simultaneous quantification of the marker compounds.

  18. An Optimised Aqueous Extract of Phenolic Compounds from Bitter Melon with High Antioxidant Capacity

    Directory of Open Access Journals (Sweden)

    Sing Pei Tan

    2014-12-01

    Full Text Available Bitter melon (Momordica charantia L. is a tropical fruit claimed to have medicinal properties associated with its content of phenolic compounds (TPC. The aim of the study was to compare water with several organic solvents (acetone, butanol, methanol and 80% ethanol for its efficiency at extracting the TPC from freeze-dried bitter melon powder. The TPC of the extracts was measured using the Folin-Ciocalteu reagent and their antioxidant capacity (AC was evaluated using three assays. Before optimisation, the TPC and AC of the aqueous extract were 63% and 20% lower, respectively, than for the best organic solvent, 80% ethanol. However, after optimising for temperature (80 °C, time (5 min, water-to-powder ratio (40:1 mL/g, particle size (1 mm and the number of extractions of the same sample (1×, the TPC and the AC of the aqueous extract were equal or higher than for 80% ethanol. Furthermore, less solvent (40 mL water/g and less time (5 min were needed than was used for the 80% ethanol extract (100 mL/g for 1 h. Therefore, this study provides evidence to recommend the use of water as the solvent of choice for the extraction of the phenolic compounds and their associated antioxidant activities from bitter melon.

  19. Multi-frequency excitation

    KAUST Repository

    Younis, Mohammad I.

    2016-03-10

    Embodiments of multi-frequency excitation are described. In various embodiments, a natural frequency of a device may be determined. In turn, a first voltage amplitude and first fixed frequency of a first source of excitation can be selected for the device based on the natural frequency. Additionally, a second voltage amplitude of a second source of excitation can be selected for the device, and the first and second sources of excitation can be applied to the device. After applying the first and second sources of excitation, a frequency of the second source of excitation can be swept. Using the methods of multi- frequency excitation described herein, new operating frequencies, operating frequency ranges, resonance frequencies, resonance frequency ranges, and/or resonance responses can be achieved for devices and systems.

  20. A multifunctional phosphine oxide-diphenylamine hybrid compound as a high performance deep-blue fluorescent emitter and green phosphorescent host.

    Science.gov (United States)

    Liu, Xiao-Ke; Zheng, Cai-Jun; Lo, Ming-Fai; Xiao, Jing; Lee, Chun-Sing; Fung, Man-Keung; Zhang, Xiao-Hong

    2014-02-25

    A novel phosphine oxide-diphenylamine hybrid compound POA was designed and synthesized with the aim of developing new multifunctional blue fluorophores. POA is the first kind of compound that can be used as a high-efficiency deep-blue emitter (5.4% EQE) and a host to fabricate high-performance green phosphorescent OLEDs (18.1% EQE).

  1. Magnetic excitations in deformed nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Nojarov, R. [Tuebingen Univ. (Germany). Inst. fuer Theoretische Physik

    1995-08-01

    Cross sections for inelastic electron scattering and energy distributions of M1 and E2 strengths of K{sup {pi}} - 1{sup +} excitations in titanium, rare-earth, and actinide nuclei are studied microscopically within QRPA. The spin M1 strength has two peaks, isoscalar and isovector, residing between the low-and high-energy orbital M1 strength. The latter is strongly fragmented and lies in the region of the IVGQR, where the (e,e`) cross sections are almost one order of magnitude larger for E2 than for M1 excitations. Comparison with the quantized isovector rotor allows the interpretation of all the orbital M1 excitations at both low and high energies as manifestation of the collective scissors mode. (author).

  2. High-throughput assay for the identification of compounds regulating osteogenic differentiation of human mesenchymal stromal cells.

    Directory of Open Access Journals (Sweden)

    Hugo Alves

    Full Text Available Human mesenchymal stromal cells are regarded as the golden standard for cell-based therapies. They present multilineage differentiation potential and trophic and immunosuppressive abilities, making them the best candidate for clinical applications. Several molecules have been described to increase bone formation and were mainly discovered by candidate approaches towards known signaling pathways controlling osteogenesis. However, their bone forming potential is still limited, making the search for novel molecules a necessity. High-throughput screening (HTS not only allows the screening of a large number of diverse chemical compounds, but also allows the discovery of unexpected signaling pathways and molecular mechanisms for a certain application, even without the prior knowledge of the full molecular pathway. Typically HTS is performed in cell lines, however, in this manuscript we have performed a phenotypical screen on more clinically relevant human mesenchymal stromal cells, as a proof of principle that HTS can be performed in those cells and can be used to find small molecules that impact stem cell fate. From a library of pharmacologically active small molecules, we were able to identify novel compounds with increased osteogenic activity. These compounds allowed achieving levels of bone-specific alkaline phosphatase higher than any other combination previously known. By combining biochemical techniques, we were able to demonstrate that a medium to high-throughput phenotypic assay can be performed in academic research laboratories allowing the discovery of novel molecules able to enhance stem cell differentiation.

  3. Desorption of harmful hydrocarbon compounds in soil using micron-sized magnetic particles and high-frequency magnetic fields

    Directory of Open Access Journals (Sweden)

    Bailey S. Tye

    2017-10-01

    Full Text Available This research looks at the use of high frequency (HF magnetic fields to desorb/reduce harmful chemical compounds within gasoline and diesel that commonly leak out of underground storage tanks. Using a multi-strand coil design, measured magnetic fields of over 3 kilo-amperes per meter are generated at an optimal frequency of 117 kHz without skin-depth losses, and without the use of expensive super-conductors or liquid-cooled mechanisms. This high frequency magnetic field is successfully used in non-contact-based magnetic heating and desorption of Gasoline and Diesel mixed with sand, water and easily-dispersible, benign micrometer-sized iron filings, used as a magnetic absorber. Gas chromatography (GC tests done on magnetically-heated Gasoline-soil and Diesel-soil mixtures show desorption/reduction of gasoline and diesel by 44% and 51% respectively, but desorption/reduction of harmful BTEX compounds and other chemical irritants within Gasoline and Diesel by 28–66% after only 80 minutes of magnetic heating. Review of remediation/desorption methods show magnetic fields fare favorably in comparison to other methods that require longer treatment period or the use of secondary pollutants at reducing hydrocarbon and BTEX compounds in them. Keywords: Engineering, Applied sciences, Environmental science, Electrical engineering

  4. Separation and purification of four phenolic compounds from persimmon by high-speed counter-current chromatography.

    Science.gov (United States)

    Peng, Jinming; Li, Kaikai; Zhu, Wei; Deng, Xiangyi; Li, Chunmei

    2018-01-01

    An efficient method was established by high-speed counter-current chromatography (HSCCC) for preparation of four phenolic compounds from the depolymerization products of persimmon tannin. Using the two solvent systems of n-hexane/ethyl acetate/water (3:17:20, v/v/v) and ethyl acetate/methanol/water (50:1:50, v/v/v), the preparative isolation was successfully performed by a two-step separation. The yields of one run (150mg crude sample) for gallic acid, methyl gallate, and epigallocatechin-3-gallate-(4β→8, 2β→O→7)-epigallocatechin-3-gallate dimer (A-type EGCG dimer) were 4.7, 44.2 and 5.9mg, respectively. In addition, 4.6mg epicatechin-3-gallate-(4β→8, 2β→O→7)-epicatechin-3-gallate dimer (A-type ECG dimer) was obtained by further preparative high-performance liquid chromatography (prep-HPLC). The purities of these compounds were all above 95.0% and their structures were identified by HPLC/ESI-MS. We found that HSCCC had definite advantages for the preparation of dimeric procyanidins compared with previous methods. Furthermore, it was shown that the four phenolic compounds possessed greater antioxidant activities than Trolox. Copyright © 2017. Published by Elsevier B.V.

  5. Five Ochna species have high antibacterial activity and more than ten antibacterial compounds

    Directory of Open Access Journals (Sweden)

    Jacobus N. Eloff

    2012-01-01

    Full Text Available New measures to control infections in humans and other animals are continuously being sought because of the increasing resistance of bacteria to antibiotics. In a wide tree screening survey of the antimicrobial activity of extracts of tree leaves (www.up.ac.za/phyto, Ochna pulchra, a small tree found widely in southern Africa, had good antibacterial activity. We therefore investigated the antibacterial activity of acetone leaf extracts of some other available Ochna spp. Antibacterial activity and the number of antibacterial compounds in acetone leaf extracts of Ochna natalitia, Ochna pretoriensis, O. pulchra, Ochna gamostigmata and Ochna serullata were determined with a tetrazolium violet serial microplate dilution assay and bioautography against Staphylococcus aureus, Escherichia coli, Enterococcus faecalis and Pseudomonas aeruginosa, bacteria commonly associated with nosocomial infections. The percentage yields of the extracts varied from 2.5% to 8%. The minimum inhibitory concentrations of the five species ranged from 40 µg/mL to 1250 µg/mL. E. coli was sensitive to all the extracts. The O. pretoriensis extract was the most active with minimum inhibitory concentrations of 0.065 mg/mL and 0.039 mg/mL against E. coli and E. faecalis, respectively. The O. pretoriensis extract also had the highest total activities of 923 mL/g and 1538 mL/g, indicating that the acetone extract from 1 g of dried plant material could be diluted to 923 mL or 1538 mL and would still kill these bacteria. Based on the bioautography results, the two most active species, O. pretoriensis and O. pulchra, contained at least 10 antibacterial compounds with similar Rf values. Some of these antibacterial compounds were polar and others were non-polar. Variation in the chemical composition of the species

  6. Effects of High-Humidity Aging on Platinum, Palladium, and Gold Loaded Tin Oxide—Volatile Organic Compound Sensors

    Directory of Open Access Journals (Sweden)

    Maiko Nishibori

    2010-07-01

    Full Text Available This study is an investigation of high-humidity aging effects on the total volatile organic compound (T–VOC gas-sensing properties of platinum, palladium, and gold-loaded tin oxide (Pt,Pd,Au/SnO2 thick films. The sensor responses of the high-humidity aged Pt,Pd,Au/SnO2, a non-aged Pt,Pd,Au/SnO2, and a high-humidity aged Pt/SnO2 to T–VOC test gas have been measured. The high-humidity aging is an effective treatment for resistance to humidity change for the Pt,Pd,Au/SnO2 but not effective for the Pt/SnO2. The mechanism of the high-humidity aging effects is discussed based on the change of surface state of the SnO2 particles.

  7. Redirecting photosynthetic electron flow into light-driven synthesis of alternative products including high-value bioactive natural compounds.

    Science.gov (United States)

    Lassen, Lærke Münter; Nielsen, Agnieszka Zygadlo; Ziersen, Bibi; Gnanasekaran, Thiyagarajan; Møller, Birger Lindberg; Jensen, Poul Erik

    2014-01-17

    Photosynthesis in plants, green algae, and cyanobacteria converts solar energy into chemical energy in the form of ATP and NADPH, both of which are used in primary metabolism. However, often more reducing power is generated by the photosystems than what is needed for primary metabolism. In this review, we discuss the development in the research field, focusing on how the photosystems can be used as synthetic biology building blocks to channel excess reducing power into light-driven production of alternative products. Plants synthesize a large number of high-value bioactive natural compounds. Some of the key enzymes catalyzing their biosynthesis are the cytochrome P450s situated in the endoplasmic reticulum. However, bioactive compounds are often synthesized in low quantities in the plants and are difficult to produce by chemical synthesis due to their often complex structures. Through a synthetic biology approach, enzymes with a requirement for reducing equivalents as cofactors, such as the cytochrome P450s, can be coupled directly to the photosynthetic energy output to obtain environmentally friendly production of complex chemical compounds. By relocating cytochrome P450s to the chloroplasts, reducing power can be diverted toward the reactions catalyzed by the cytochrome P450s. This provides a sustainable production method for high-value compounds that potentially can solve the problem of NADPH regeneration, which currently limits the biotechnological uses of cytochrome P450s. We describe the approaches that have been taken to couple enzymes to photosynthesis in vivo and to photosystem I in vitro and the challenges associated with this approach to develop new green production platforms.

  8. Termination layer compensated tunnelling magnetoresistance in ferrimagnetic Heusler compounds with high perpendicular magnetic anisotropy

    National Research Council Canada - National Science Library

    Jeong, Jaewoo; Ferrante, Yari; Faleev, Sergey V; Samant, Mahesh G; Felser, Claudia; Parkin, Stuart S P

    2016-01-01

    ...-tunnelling magnetoresistance in the latter. Here we report the preparation of highly textured, polycrystalline Mn3Ge films on amorphous substrates, with very high magnetic anisotropy fields exceeding 7 T, making them technologically relevant...

  9. Magnetic excitations in rare earth systems

    Science.gov (United States)

    Jensen, Jens

    1982-10-01

    The observation of magnetic excitations, by means of inelastic neutron scattering, provides valuable information on the magnetic forces acting in rare-earth systems. The RPA (random-phase approximation) theory, developed into its final form in the early seventies, is now a widely used tool for analyzing the excitation spectra in systems with well-defined local moments. These excitations reflect both the dynamics of the single moments and the interactions of these moments with their surroundings. A discussion of the information which has been obtained from studies of the magnetic excitations in the rare-earth metal is presented. The emphasis is laid on Pr-metal which has attracted much interest in recent years. Recent progress in the investigation of rare-earth intermetallic compounds, like the Laves-phase and the CsCl-type-compounds and the rare-earth pnictides, is also condidered. Some aspects of the magnetic properties of the actinides can be understood in terms of a model of localized moments, and we include a discussion of USb, where the spin-wave spectrum contains direct evidence that the spins are ordered in a triple- q structure. The magnetic excitations may be coupled to the phonons and in the metallic systems they interact with the electron- hole excitations of the conduction electrons. Therefore the sound velocities and the effective mass of the conduction electrons can be strongly affected by the spin system. Recent developments within these areas are also reviewed.

  10. Valence excitation energies of alkenes, carbonyl compounds, and azabenzenes by time-dependent density functional theory: Linear response of the ground state compared to collinear and noncollinear spin-flip TDDFT with the Tamm-Dancoff approximation

    Science.gov (United States)

    Isegawa, Miho; Truhlar, Donald G.

    2013-04-01

    Time-dependent density functional theory (TDDFT) holds great promise for studying photochemistry because of its affordable cost for large systems and for repeated calculations as required for direct dynamics. The chief obstacle is uncertain accuracy. There have been many validation studies, but there are also many formulations, and there have been few studies where several formulations were applied systematically to the same problems. Another issue, when TDDFT is applied with only a single exchange-correlation functional, is that errors in the functional may mask successes or failures of the formulation. Here, to try to sort out some of the issues, we apply eight formulations of adiabatic TDDFT to the first valence excitations of ten molecules with 18 density functionals of diverse types. The formulations examined are linear response from the ground state (LR-TDDFT), linear response from the ground state with the Tamm-Dancoff approximation (TDDFT-TDA), the original collinear spin-flip approximation with the Tamm-Dancoff (TD) approximation (SF1-TDDFT-TDA), the original noncollinear spin-flip approximation with the TDA approximation (SF1-NC-TDDFT-TDA), combined self-consistent-field (SCF) and collinear spin-flip calculations in the original spin-projected form (SF2-TDDFT-TDA) or non-spin-projected (NSF2-TDDFT-TDA), and combined SCF and noncollinear spin-flip calculations (SF2-NC-TDDFT-TDA and NSF2-NC-TDDFT-TDA). Comparing LR-TDDFT to TDDFT-TDA, we observed that the excitation energy is raised by the TDA; this brings the excitation energies underestimated by full linear response closer to experiment, but sometimes it makes the results worse. For ethylene and butadiene, the excitation energies are underestimated by LR-TDDFT, and the error becomes smaller making the TDA. Neither SF1-TDDFT-TDA nor SF2-TDDFT-TDA provides a lower mean unsigned error than LR-TDDFT or TDDFT-TDA. The comparison between collinear and noncollinear kernels shows that the noncollinear kernel

  11. The effect of high power ultrasound on phenolic composition, chromatic characteristics, and aroma compounds of red wines

    Directory of Open Access Journals (Sweden)

    Natka Ćurko

    2017-01-01

    Full Text Available High power ultrasound (HPU is a novel, non-thermal technology the application of which has been primarily evaluated in managing food quality. The application of high power ultrasound in wine technology is therefore directed at modulating microbial activity during fermentation, extraction of phenolic and aroma compounds from grapes to must, as well as at accelerating aging reactions in wine. The main aim of this article was to evaluate the effect of different HPU process parameters on sustaining the phenolic and aroma composition of red wine and its colour characteristics. Three different red wines, including Cabernet Sauvignon, Merlot, and Plavac mali, were treated with high power ultrasound (20kHz, considering the variations in ultrasound probe diameter size (12.7 and 19 mm, amplitude level (20, 30, and 40 %, and processing time (2, 4, and 6 minutes. Total polyphenol content, total anthocyanin concentration, and chromatic characteristics were analyzed by spectrophotometry, free anthocyanins were analysed by high performance liquid chromatography, and wine aroma compounds were analyzed by gas chromatography combined with solid-phase microextraction. The obtained results show that ultrasonic irradiation induces chemical changes in phenolic composition, chromatic characteristics, and aroma compounds concentration, and accelerates chemical reactions responsible for wine aging. The intensity of the mentioned chemical changes depends on the selected processing parameters and on the treated variety. Among three different parameters, the selection of the probe diameter was showed to be most significant factor influencing chemical composition, followed by the amplitude level and processing time. The smaller diameter probe size (12.7 mm, lowest amplitude (20%, and a shorter processing time (2 minutes showed a more favourable and lighter effect on the chemical composition of the treated red wines.

  12. Effects of Lignocellulosic Compounds on the Yield, Nanostructure and Reactivity of Soot from Fast Pyrolysis at High Temperatures

    DEFF Research Database (Denmark)

    Trubetskaya, Anna; Broström, Markus; Kling, Jens

    Gasification offers the utilization of biomass to a wide variety of applications such as heat, electricity, chemicals and transport fuels in an efficient and sustainable manner. High soot yields in the high-temperature entrained flow gasification lead to intensive gas cleaning and can cause...... reactor. The specific objectives of this study were to: (1) obtain knowledge about lignocellulosic compounds and monolignols influence on the yield, nanostructure, composition, and reactivity of soot during high-temperature gasification, (2) understand the influence of Soxhlet extraction on the soot...... reactivity and characteristics, and (3) determine the reaction conditions and fuel composition which minimize soot formation leading to the efficient operation of high-temperature gasification process....

  13. Magnetic anisotropy of pure and doped YbInCu sub 4 compounds at ambient and high pressures

    CERN Document Server

    Mushnikov, N V; Rozenfeld, E V; Yoshimura, K; Zhang, W; Yamada, M; Kageyama, H

    2003-01-01

    The susceptibility and high-field magnetization of single-crystalline Yb sub 1 sub - sub x Y sub x InCu sub 4 (x = 0, 0.2 and 0.3) samples have been measured for different field orientations at ambient and high pressures. The compounds with x = 0 and 0.2 undergo a first-order valence transition from the intermediate-valence state to the trivalent state on increasing either temperature or magnetic field. The magnetization and susceptibility of these compounds have appreciable anisotropy in both states. The magnetic phase diagram of Yb sub 1 sub - sub x Y sub x InCu sub 4 determined at ambient pressure is also anisotropic, which is explained by the crystal-field calculations for the free Yb ion in the high-temperature phase. Moreover, the low-temperature magnetization process for x = 0.2 and 0.3 has been measured in low fields under high pressure; it shows anisotropic ferromagnetic ordering.

  14. Inner-shell excitation spectroscopy of peroxides

    NARCIS (Netherlands)

    Harding, K. L.; Kalirai, S.; Hayes, R.; Ju, V.; Cooper, G.; Hitchcock, A. P.; Thompson, M. R.

    2015-01-01

    O 1s inner-shell excitation spectra of a number of vapor phase molecules containing peroxide bonds - hydrogen peroxide (H2O2), di-t-butylperoxide ((BuOBu)-Bu-t-Bu-t), benzoyl peroxide, ((C6H5(CO)O)(2)), luperox-F [1,3(4)-bis(tertbutylperoxyisopropyl)benzene], and analogous, non-peroxide compounds -

  15. Autoresonant Excitation of Antiproton Plasmas

    CERN Document Server

    Andresen, Gorm B; Baquero-Ruiz, Marcelo; Bertsche, William; Bowe, Paul D; Butler, Eoin; Carpenter, P T; Cesar, Claudio L; Chapman, Steven; Charlton, Michael; Fajans, Joel; Friesen, Tim; Fujiwara, Makoto C; Gill, David R; Hangst, Jeffrey S; Hardy, Walter N; Hayden, Michael E; Humphries, Andrew J; Hurt, J L; Hydomako, Richard; Jonsell, Svante; Madsen, Niels; Menary, Scott; Nolan, Paul; Olchanski, Konstantin; Olin, Art; Povilus, Alexander; Pusa, Petteri; Robicheaux, Francis; Sarid, Eli; Silveira, Daniel M; So, Chukman; Storey, James W; Thompson, Robert I; van der Werf, Dirk P; Wurtele, Jonathan S; Yamazaki, Yasunori

    2011-01-01

    We demonstrate controllable excitation of the center-of-mass longitudinal motion of a thermal antiproton plasma using a swept-frequency autoresonant drive. When the plasma is cold, dense, and highly collective in nature, we observe that the entire system behaves as a single-particle nonlinear oscillator, as predicted by a recent theory. In contrast, only a fraction of the antiprotons in a warm plasma can be similarly excited. Antihydrogen was produced and trapped by using this technique to drive antiprotons into a positron plasma, thereby initiating atomic recombination.

  16. High total volatile organic compounds pollution in a hospital dental department.

    Science.gov (United States)

    Liu, Ming-Hui; Tung, Tao-Hsin; Chung, Fen-Fang; Chuang, Li-Chuan; Wan, Gwo-Hwa

    2017-10-18

    Bioaerosols produced by dental procedures may affect indoor air quality and cause infections in dental healthcare workers. To provide air quality data that can be used to protect dental healthcare workers, this study evaluated the air quality and its influencing factors in the dental department of the Chang Gung Memorial Hospital in Taiwan. The study was a cross-sectional study design. Indoor air quality (IAQ) evaluations were conducted in six locations: pediatric dentistry, craniofacial orthodontic dentistry, periodontal dentistry, and general practice dentistry, instrument washing room, and patient waiting area. The measured air quality parameters included temperature, relative humidity, and concentrations of CO2, total volatile organic compounds (TVOCs), suspended particulate matter (PM), and bacteria. TVOCs concentrations at all six sampling stations were found to exceed the indoor air quality standards prescribed by the Taiwan Environmental Protection Agency. The highest concentrations of atmospheric PM10, PM2.5, and PM1 were found in the periodontal dentistry department, while the lowest concentrations occurred in the patient waiting area. The detection rate for Gram-positive bacteria was highest in the pediatric department (25%) and lowest in the instrument washing room (9%). Micrococcus luteus and Bacillus cereus were the primary pathogens detected. The dental departments of the hospital had a serious TVOCs pollution. The air quality of dental departments deserves long-term surveillance and attention.

  17. [High current microsecond pulsed hollow cathode lamp excited ionic fluorescence spectrometry of alkaline earth elements in inductively coupled plasma with a Fassel-torch].

    Science.gov (United States)

    Zhang, Shao-Yu; Gong, Zhen-Bin; Huang, Ben-Li

    2006-02-01

    High current microsecond pulsed hollow cathode lamp (HCMP-HCL) excited ionic fluorescence spectrometry (IFS) of alkaline earth elements in inductively coupled plasma (ICP) with a Fassel-torch has been investigated. In wide condition ranges only IFS was observed, whilst atomic fluorescence spectrometry (AFS) was not detectable. More intense ionic fluorescence signal was observed at lower observation heights and at lower incident RF powers. Without introduction of any reduction organic gases into the ICP, the limit of detection (LOD, 3sigma) of Ba was improved by 50-fold over that of a conventional pulsed (CP) HCL with the Baird sleeve-extended torch. For Ca and Sr, the LODs by HCMP-HCL-ICP-IFS and CP-HCL-ICP-AFS show no significant difference. Relative standard deviations were 0.6%-1.4% (0.1-0.2 microg x mL(-1), n = 10) for 5 ionic fluorescence lines. Preliminary studies showed that the intensity of ionic fluorescence could be depressed in the presence of K, Al and P.

  18. Resonant excitation of high order modes in the 3.9 GHz cavity of the Linac Coherent Light Source

    Directory of Open Access Journals (Sweden)

    A. Lunin

    2018-02-01

    Full Text Available Construction of the Linac Coherent Light Source II (LCLS-II is underway for the world’s first hard x-ray free-electron laser. A central part of the LCLS-II project is a 4 GeV superconducting radio frequency electron linac that will operate in the continuous wave (cw mode. The linac is segmented into four sections named as L0, L1, L2, and L3. Two 3.9 GHz cryomodules, each housing of eight third-harmonic cavities similar to the cavities developed for the European X-ray Free Electron Laser (XFEL, will be used in section L1 of the linac for linearizing the longitudinal beam profile. In this paper, we present a study of trapped high order modes (HOMs excited by a cw electron beam in the third-harmonic cavities of the LCLS-II linac. A detailed comparison of the original XFEL design and the LCLS-II design with a modified end group is performed in order to estimate the effect of a reduced beam pipe aperture on the efficiency of HOM damping. Furthermore, we apply a statistical analysis of the eigenmode spectrum for the estimation of the probability of resonant HOM losses and influence of HOMs on beam dynamics.

  19. Excitation of high-radial-order Laguerre-Gaussian modes in a solid-state laser using a lower-loss digitally controlled amplitude mask

    Science.gov (United States)

    Bell, T.; Hasnaoui, A.; Ait-Ameur, K.; Ngcobo, S.

    2017-10-01

    In this paper we experimentally demonstrate selective excitation of high-radial-order Laguerre-Gaussian (LG p or LG{}p,0) modes with radial order p = 1-4 and azimuthal order l = 0 using a diode-pump solid-state laser (DPSSL) that is digitally controlled by a spatial light modulator (SLM). We encoded an amplitude mask containing p-absorbing rings, of various incompleteness (segmented) on grey-scale computer-generated digital holograms, and displayed them on an SLM which acted as an end mirror of the diode-pumped solid-state digital laser. The various incomplete (α) p-absorbing rings were digitally encoded to match the zero-intensity nulls of the desired LG p mode. We show that the creation of LG p , for p = 1 to p = 4, only requires an incomplete circular p-absorbing ring that has a completeness of ≈37.5%, giving the DPSSL resonator a lower pump threshold power while maintaining the same laser characteristics (such as beam propagation properties).

  20. Repetition rates of specific interval patterns in single spike train reflect excitation level of specific receptor types, shown by high-speed favored-pattern detection method.

    Science.gov (United States)

    Ku, Yun-Hui; Wang, Ming; Li, Yao-Hua; Sun, Ze-Jin; Guo, Tao; Wu, Jin-Sheng

    2006-10-03

    Interval patterns in single spike train, e.g. "favored patterns (FPs, the FP is a sequence of successive intervals of action potentials that occur more often than what is reasonably expected at random.)", may represent neural codes containing information. The present study developed a "high-speed FP-detection method" which could qualitatively and quantitatively analyze FPs. By using this method, single spike trains of nucleus paraventricularis (NPV) and rostral ventrolateral medulla (RVL) having different firing patterns, being involved in regulation of arterial pressure, and controlled by different transmitters, were chosen for analysis. (1) Corticotropin releasing factor, substance P and agonists of alpha-, beta- and M-receptor microinjected into these brain areas, respectively, induced dominant change of specific FP. Repetition rates of specific FPs reflect excitation level of specific receptor types. It shows that chemical codes (different transmitters with their receptor types or subtypes) are transformed into electrical codes (different FPs). (2) When alpha-, beta- and M-receptors of RVL neurons were activated simultaneously by intrinsic excitatory transmitters released due to activation of input pathway, only repetition rate of the specific FP that represented the predominant activity of the receptor type (alpha-adrenergic receptor) markedly increased. The activities of other receptor types (beta- and M-receptors) were masked. (3) Intrinsic inhibitory transmitters (GABA, beta-endorphin) in the RVL all decreased specific FP repetition rate of dominant receptor type. These results may provide a new way to further explore how information in the CNS is conveyed and processed.

  1. Excitation functions of 186,187,188,189,190,192Ir formed in proton-induced reactions on highly enriched 192Os up to 66 MeV

    Science.gov (United States)

    Szelecsényi, F.; Vermeulen, C.; Steyn, G. F.; Kovács, Z.; Aardaneh, K.; van der Walt, T. N.

    2010-10-01

    Cross sections of proton-induced nuclear reactions on highly enriched 192Os were measured up to 66 MeV by using the stacked-foil irradiation technique. Excitation functions are presented for the reactions 192Os(p,n) 192Ir, 192Os(p,3n) 190Ir, 192Os(p,4n) 189Ir, 192Os(p,5n) 188Ir, 192Os(p,6n) 187Ir and 192Os(p,7n) 186Ir. No earlier experimental cross-section data could be found in the literature except for the 192Os(p,n) 192Ir process. Our new experimental results are compared with theoretical predictions by means of the theoretical model code ALICE/ASH. Integral thick-target yield calculations were also performed for the 192Os(p,n) 192Ir and 192Os(p,3n) 190Ir reactions to evaluate the 190Ir contamination level, as a function of energy, in the case of 192Ir productions.

  2. Automated high-content assay for compounds selectively toxic to Trypanosoma cruzi in a myoblastic cell line.

    Directory of Open Access Journals (Sweden)

    Julio Alonso-Padilla

    2015-01-01

    Full Text Available Chagas disease, caused by the protozoan parasite Trypanosoma cruzi, represents a very important public health problem in Latin America where it is endemic. Although mostly asymptomatic at its initial stage, after the disease becomes chronic, about a third of the infected patients progress to a potentially fatal outcome due to severe damage of heart and gut tissues. There is an urgent need for new drugs against Chagas disease since there are only two drugs available, benznidazole and nifurtimox, and both show toxic side effects and variable efficacy against the chronic stage of the disease.Genetically engineered parasitic strains are used for high throughput screening (HTS of large chemical collections in the search for new anti-parasitic compounds. These assays, although successful, are limited to reporter transgenic parasites and do not cover the wide T. cruzi genetic background. With the aim to contribute to the early drug discovery process against Chagas disease we have developed an automated image-based 384-well plate HTS assay for T. cruzi amastigote replication in a rat myoblast host cell line. An image analysis script was designed to inform on three outputs: total number of host cells, ratio of T. cruzi amastigotes per cell and percentage of infected cells, which respectively provides one host cell toxicity and two T. cruzi toxicity readouts. The assay was statistically robust (Z´ values >0.6 and was validated against a series of known anti-trypanosomatid drugs.We have established a highly reproducible, high content HTS assay for screening of chemical compounds against T. cruzi infection of myoblasts that is amenable for use with any T. cruzi strain capable of in vitro infection. Our visual assay informs on both anti-parasitic and host cell toxicity readouts in a single experiment, allowing the direct identification of compounds selectively targeted to the parasite.

  3. Excited states 2

    CERN Document Server

    Lim, Edward C

    2013-01-01

    Excited States, Volume 2 is a collection of papers that deals with molecules in the excited states. The book describes the geometries of molecules in the excited electronic states. One paper describes the geometries of a diatomic molecule and of polyatomic molecules; it also discusses the determination of the many excited state geometries of molecules with two, three, or four atoms by techniques similar to diatomic spectroscopy. Another paper introduces an ordered theory related to excitons in pure and mixed molecular crystals. This paper also presents some experimental data such as those invo

  4. High pressure studies on uranium and thorium silicide compounds: Experiment and theory

    DEFF Research Database (Denmark)

    Yagoubi, S.; Heathman, S.; Svane, A.

    2013-01-01

    The actinide silicides ThSi, USi and USi2 have been studied under high pressure using both theory and experiment. High pressure synchrotron X-ray diffraction experiments were performed on polycrystalline samples in diamond anvil cells at room temperature and for pressures up to 54, 52 and 26 GPa,...

  5. High-Resolution Solid-State NMR Spectroscopy: Characterization of Polymorphism in Cimetidine, a Pharmaceutical Compound

    Science.gov (United States)

    Pacilio, Julia E.; Tokarski, John T.; Quiñones, Rosalynn; Iuliucci, Robbie J.

    2014-01-01

    High-resolution solid-state NMR (SSNMR) spectroscopy has many advantages as a tool to characterize solid-phase material that finds applications in polymer chemistry, nanotechnology, materials science, biomolecular structure determination, and others, including the pharmaceutical industry. The technology associated with achieving high resolution…

  6. High-field magnetic studies of pseudoternary Nd sub 2 Fe sub 14 B-based compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kayzel, F.E.; Verhoef, R.; Ji, S.Q.; Franse, J.J.M.; Radwanski, R.J. (Natuurkundig Lab., Univ. van Amsterdam (Netherlands)); Hoch, S.; Kronmueller, H. (Max-Planck-Inst. fuer Metallforschung, Inst. fuer Physik, Stuttgart (Germany))

    1991-10-01

    The intrinsic properties of some pseudoternary Nd{sub 2}Fe{sub 14}B compounds (Nd{sub 2}Fe{sub 13.6}Al{sub 0.4}B, Nd{sub 2}Fe{sub 13.2}Al{sub 0.8}B, Nd{sub 2}Fe{sub 11.2}Co{sub 2.8}B, Nd{sub 1.8}Dy{sub 0.2}Fe{sub 14}B) have been studied by performing high field magnetization measurements at 4.2 K. The magneto-crystalline anisotropy coefficients have been derived. (orig.).

  7. Micro-sized organometallic compound of ferrocene as high-performance anode material for advanced lithium-ion batteries

    Science.gov (United States)

    Liu, Zhen; Feng, Li; Su, Xiaoru; Qin, Chenyang; Zhao, Kun; Hu, Fang; Zhou, Mingjiong; Xia, Yongyao

    2018-01-01

    An organometallic compound of ferrocene is first investigated as a promising anode for lithium-ion batteries. The electrochemical properties of ferrocene are conducted by galvanostatic charge and discharge. The ferrocene anode exhibits a high reversible capacity and great cycling stability, as well as superior rate capability. The electrochemical reaction of ferrocene is semi-reversible and some metallic Fe remains in the electrode even after delithiation. The metallic Fe formed in electrode and the stable solid electrolyte interphase should be responsible for its excellent electrochemical performance.

  8. Concentration of phenolic compounds is increased in lettuce grown under high light intensity and elevated CO2.

    Science.gov (United States)

    Pérez-López, Usue; Sgherri, Cristina; Miranda-Apodaca, Jon; Micaelli, Francesco; Lacuesta, Maite; Mena-Petite, Amaia; Quartacci, Mike Frank; Muñoz-Rueda, Alberto

    2018-02-01

    The present study was focused on lettuce, a widely consumed leafy vegetable for the large number of healthy phenolic compounds. Two differently-pigmented lettuce cultivars, i.e. an acyanic-green leaf cv. and an anthocyanic-red one, were grown under high light intensity or elevated CO2 or both in order to evaluate how environmental conditions may affect the production of secondary phenolic metabolites and, thus, lettuce quality. Mild light stress imposed for a short time under ambient or elevated CO2 concentration increased phenolics compounds as well as antioxidant capacity in both lettuce cvs, indicating how the cultivation practice could enhance the health-promoting benefits of lettuce. The phenolic profile depended on pigmentation and the anthocyanic-red cv. always maintained a higher phenolic amount as well as antioxidant capacity than the acyanic-green one. In particular, quercetin, quercetin-3-O-glucuronide, kaempferol, quercitrin and rutin accumulated under high light or high CO2 in the anthocyanic-red cv., whereas cyanidin derivatives were responsive to mild light stress, both at ambient and elevated CO2. In both cvs total free and conjugated phenolic acids maintained higher values under all altered environmental conditions, whereas luteolin reached significant amounts when both stresses were administered together, indicating, in this last case, that the enzymatic regulation of the flavonoid synthesis could be differently affected, the synthesis of flavones being favored. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  9. Development and implementation of a high-throughput compound screening assay for targeting disrupted ER calcium homeostasis in Alzheimer's disease.

    Directory of Open Access Journals (Sweden)

    Kamran Honarnejad

    Full Text Available Disrupted intracellular calcium homeostasis is believed to occur early in the cascade of events leading to Alzheimer's disease (AD pathology. Particularly familial AD mutations linked to Presenilins result in exaggerated agonist-evoked calcium release from endoplasmic reticulum (ER. Here we report the development of a fully automated high-throughput calcium imaging assay utilizing a genetically-encoded FRET-based calcium indicator at single cell resolution for compound screening. The established high-throughput screening assay offers several advantages over conventional high-throughput calcium imaging technologies. We employed this assay for drug discovery in AD by screening compound libraries consisting of over 20,000 small molecules followed by structure-activity-relationship analysis. This led to the identification of Bepridil, a calcium channel antagonist drug in addition to four further lead structures capable of normalizing the potentiated FAD-PS1-induced calcium release from ER. Interestingly, it has recently been reported that Bepridil can reduce Aβ production by lowering BACE1 activity. Indeed, we also detected lowered Aβ, increased sAPPα and decreased sAPPβ fragment levels upon Bepridil treatment. The latter findings suggest that Bepridil may provide a multifactorial therapeutic modality for AD by simultaneously addressing multiple aspects of the disease.

  10. Bread formulated with guava powder was enriched in phenolic and aroma compounds, and was highly acceptable by consumers

    OpenAIRE

    Castelo-Branco, Vanessa N.; Lago, Mabel G.; Minuzzo, Daniela A.; Moura-Nunes, Nathália; Torres,Alexandre G; Nunes, Juliana C.; Monteiro, Mariana

    2016-01-01

    Guava powder (GP) was used as source of aroma and phenolic compounds to fortify wheat bread 10% (GB10) and 20% (GB20), substituting for wheat flour. Phenolic compounds, antioxidant capacity, volatile compounds profile, and sensory acceptability of control bread (CB; without GP) and guava breads (GB) were evaluated. Incorporation of GP increased roughly 2-to-3-fold the phenolic compounds contents of bread. Ten phenolic compounds were identified in GB20, and quercetin-3-O-rutinoside was the maj...

  11. Effects of High Hydrostatic Pressure Processing on Hen Egg Compounds and Egg Products

    National Research Council Canada - National Science Library

    Naderi, Nassim; House, James D; Pouliot, Yves; Doyen, Alain

    2017-01-01

    High hydrostatic pressure (HHP), used alone or with other processes, is an emerging technology increasingly used in the food industry to improve microbial safety, and the functionality and bioactive properties of food products...

  12. High resolution spectroscopy in the second excited torsional state of $CH_{3}/OD$ and the atlas of the Fourier transform spectrum in the range 20-205 cm$^{-1}/$...

    CERN Document Server

    Mukhopadhyay, I

    1999-01-01

    In this work, the reduced eighth order Hamiltonian that has been used for the determination of the molecular parameters-using the high resolution Fourier transform far-infrared (FIR) assigned transitions in the ground and first $9 excited torsional states of CH/sub 3/OD-has been applied to assign and refine the model for the second excited torsional state. The data set consisted of 1220 FIR transitions with the rotational angular momentum J<21 and K<7 in the $9 second excited torsional state. It should be noted that the second excited torsional states of methanol are almost at the top of the torsional barrier. Thus it was interesting to see how the large amplitude motion is taken care of by $9 the eighth order Hamiltonian. We are in the process of a global fit including all the assigned transitions up to the second excited state. Additionally, in this paper we present the detailed Fourier transform spectral map of CH/sub $9 3/OD in the range 20-205 cm/sup -1/, as was done for the parent species. This sp...

  13. Identifying Sources of Volatile Organic Compounds and Aldehydes in a High Performance Building

    Energy Technology Data Exchange (ETDEWEB)

    Ortiz, Anna C.; Russell, Marion; Lee, Wen-Yee; Apte, Michael; Maddalena, Randy

    2010-09-20

    The developers of the Paharpur Business Center (PBC) and Software Technology Incubator Park in New Delhi, India offer an environmentally sustainable building with a strong emphasis on energy conservation, waste minimization and superior indoor air quality (IAQ). To achieve the IAQ goal, the building utilizes a series of air cleaning technologies for treating the air entering the building. These technologies include an initial water wash followed by ultraviolet light treatment and biolfiltration using a greenhouse located on the roof and numerous plants distributed throughout the building. Even with the extensive treatment of makeup air and room air in the PBC, a recent study found that the concentrations of common volatile organic compounds and aldehydes appear to rise incrementally as the air passes through the building from the supply to the exhaust. This finding highlights the need to consider the minimization of chemical sources in buildings in combination with the use of advanced air cleaning technologies when seeking to achieve superior IAQ. The goal of this project was to identify potential source materials for indoor chemicals in the PBC. Samples of building materials, including wood paneling (polished and unpolished), drywall, and plastic from a hydroponic drum that was part of the air cleaning system, were collected from the building for testing. All materials were collected from the PBC building and shipped to the Lawrence Berkeley National Laboratory (LBNL) for testing. The materials were pre-conditioned for two different time periods before measuring material and chemical specific emission factors for a range of VOCs and Aldehydes. Of the six materials tested, we found that the highest emitter of formaldehyde was new plywood paneling. Although polish and paint contribute to some VOC emissions, the main influence of the polish was in altering the capacity of the surface to accumulate formaldehyde. Neither the new nor aged polish contributed

  14. High content image-based screening of a protease inhibitor library reveals compounds broadly active against Rift Valley fever virus and other highly pathogenic RNA viruses.

    Science.gov (United States)

    Mudhasani, Rajini; Kota, Krishna P; Retterer, Cary; Tran, Julie P; Whitehouse, Chris A; Bavari, Sina

    2014-08-01

    High content image-based screening was developed as an approach to test a protease inhibitor small molecule library for antiviral activity against Rift Valley fever virus (RVFV) and to determine their mechanism of action. RVFV is the causative agent of severe disease of humans and animals throughout Africa and the Arabian Peninsula. Of the 849 compounds screened, 34 compounds exhibited ≥ 50% inhibition against RVFV. All of the hit compounds could be classified into 4 distinct groups based on their unique chemical backbone. Some of the compounds also showed broad antiviral activity against several highly pathogenic RNA viruses including Ebola, Marburg, Venezuela equine encephalitis, and Lassa viruses. Four hit compounds (C795-0925, D011-2120, F694-1532 and G202-0362), which were most active against RVFV and showed broad-spectrum antiviral activity, were selected for further evaluation for their cytotoxicity, dose response profile, and mode of action using classical virological methods and high-content imaging analysis. Time-of-addition assays in RVFV infections suggested that D011-2120 and G202-0362 targeted virus egress, while C795-0925 and F694-1532 inhibited virus replication. We showed that D011-2120 exhibited its antiviral effects by blocking microtubule polymerization, thereby disrupting the Golgi complex and inhibiting viral trafficking to the plasma membrane during virus egress. While G202-0362 also affected virus egress, it appears to do so by a different mechanism, namely by blocking virus budding from the trans Golgi. F694-1532 inhibited viral replication, but also appeared to inhibit overall cellular gene expression. However, G202-0362 and C795-0925 did not alter any of the morphological features that we examined and thus may prove to be good candidates for antiviral drug development. Overall this work demonstrates that high-content image analysis can be used to screen chemical libraries for new antivirals and to determine their mechanism of action and

  15. High content image-based screening of a protease inhibitor library reveals compounds broadly active against Rift Valley fever virus and other highly pathogenic RNA viruses.

    Directory of Open Access Journals (Sweden)

    Rajini Mudhasani

    2014-08-01

    Full Text Available High content image-based screening was developed as an approach to test a protease inhibitor small molecule library for antiviral activity against Rift Valley fever virus (RVFV and to determine their mechanism of action. RVFV is the causative agent of severe disease of humans and animals throughout Africa and the Arabian Peninsula. Of the 849 compounds screened, 34 compounds exhibited ≥ 50% inhibition against RVFV. All of the hit compounds could be classified into 4 distinct groups based on their unique chemical backbone. Some of the compounds also showed broad antiviral activity against several highly pathogenic RNA viruses including Ebola, Marburg, Venezuela equine encephalitis, and Lassa viruses. Four hit compounds (C795-0925, D011-2120, F694-1532 and G202-0362, which were most active against RVFV and showed broad-spectrum antiviral activity, were selected for further evaluation for their cytotoxicity, dose response profile, and mode of action using classical virological methods and high-content imaging analysis. Time-of-addition assays in RVFV infections suggested that D011-2120 and G202-0362 targeted virus egress, while C795-0925 and F694-1532 inhibited virus replication. We showed that D011-2120 exhibited its antiviral effects by blocking microtubule polymerization, thereby disrupting the Golgi complex and inhibiting viral trafficking to the plasma membrane during virus egress. While G202-0362 also affected virus egress, it appears to do so by a different mechanism, namely by blocking virus budding from the trans Golgi. F694-1532 inhibited viral replication, but also appeared to inhibit overall cellular gene expression. However, G202-0362 and C795-0925 did not alter any of the morphological features that we examined and thus may prove to be good candidates for antiviral drug development. Overall this work demonstrates that high-content image analysis can be used to screen chemical libraries for new antivirals and to determine their

  16. Development of spoilage bacterial community and volatile compounds in chilled beef under vacuum or high oxygen atmospheres.

    Science.gov (United States)

    Jääskeläinen, Elina; Hultman, Jenni; Parshintsev, Jevgeni; Riekkola, Marja-Liisa; Björkroth, Johanna

    2016-04-16

    Research into microbial community development and metabolism is essential to understand meat spoilage. Recent years have seen the emergence of powerful molecular techniques that are being used alongside conventional microbiology approaches. This enables more accurate studies on meat spoilage. The aim of this study was to investigate the influence of packaging (under vacuum and in high oxygen atmosphere) on the development of microbial communities and metabolic activities at 6 °C by using culture-dependent (cultivation, ribotyping) and culture-independent (amplicon sequencing) methods. At the beginning of shelf life, the microbial community mostly consisted of Carnobacterium and Lactobacillus. After two weeks of storage, Lactococcus and Lactobacillus were the dominant genera under vacuum and Leuconostoc in high oxygen meat packages. This indicates that oxygen favoured the genus Leuconostoc comprising only heterofermentative species and hence potential producers of undesirable compounds. Also the number of volatile compounds, such as diacetyl, 1-octen-3-ol and hexanoic acids, was higher in high oxygen packages than under vacuum packages. The beef in high oxygen atmosphere packaging was detected as spoiled in sensory evaluation over 10 days earlier than beef under vacuum packaging. Leuconostoc gelidum, Lactococcus piscium, Lactobacillus sakei and Lactobacillus algidus were the most common species of bacteria. The results obtained from identification of the isolates using ribotyping and amplicon sequencing correlated, except for L. algidus, which was detected in both types of packaging by amplicon sequencing, but only in vacuum packaged samples using the culture-based technique. This indicates that L. algidus grew, but was not cultivable in high oxygen beef using the Nordic Committee on Food Analysis standard method. Copyright © 2016 Elsevier B.V. All rights reserved.

  17. Efficiency of whole and skimmed powdered milk for trapping volatile compounds released from plastic containers in high-temperature applications.

    Science.gov (United States)

    López, P; Batlle, R; Salafranca, J; Nerín, C

    2008-09-01

    Plastic food containers used for high-temperature applications are not completely inert, and potentially harmful chemicals may be transferred to foodstuffs when such containers are heated. The aim of this work was to investigate the role of food fat content on the efficiency of trapping volatile organic compounds from heated plastic packaging. Relatively simple food matrices such as powdered skimmed and whole milk were evaluated with respect to their retention of several selected migrants: toluene, 1-octene, ethylbenzene, o-, m-, and p-xylene, styrene, and 1,4-dichlorobenzene released from containers made of polypropylene (random and copolymer), polycarbonate, and styrene-acrylonitrile copolymer, which are all commonly used in high-temperature applications. The analytical method (purge and trap gas chromatography and mass spectrometry) was optimized for each matrix. The developed procedure had detection limits of 0.01 to 1.2 ng, depending on the analyte and sample matrix, and both reproducibility and repeatability (expressed as relative standard deviation) were below 15%. This method was applied to the different plastic materials. The concentrations of the volatile compounds in both matrices were well below the established specific migration limits. Temperature and fat content of powdered milk were the most influential variables in mass transfer processes. These values were compared with those obtained with either Tenax TA (alternative test medium for fatty food simulants) or Porapak Q (another widely used sorbent). Similar results were found in skimmed powdered milk and Tenax TA, but significant differences were observed for whole powdered milk.

  18. A modeling-based evaluation of isothermal rebreathing for breath gas analyses of highly soluble volatile organic compounds.

    Science.gov (United States)

    King, J; Unterkofler, K; Teschl, G; Teschl, S; Mochalski, P; Koç, H; Hinterhuber, H; Amann, A

    2012-03-01

    Isothermal rebreathing has been proposed as an experimental technique for estimating the alveolar levels of hydrophilic volatile organic compounds (VOCs) in exhaled breath. Using the prototypic test compounds acetone and methanol, we demonstrate that the end-tidal breath profiles of such substances during isothermal rebreathing show a characteristic increase that contradicts the conventional pulmonary inert gas elimination theory due to Farhi. On the other hand, these profiles can reliably be captured by virtue of a previously developed mathematical model for the general exhalation kinetics of highly soluble, blood-borne VOCs, which explicitly takes into account airway gas exchange as a major determinant of the observable breath output. This model allows for a mechanistic analysis of various rebreathing protocols suggested in the literature. In particular, it predicts that the end-exhaled levels of acetone and methanol measured during free tidal breathing will underestimate the underlying alveolar concentration by a factor of up to 1.5. Moreover, it clarifies the discrepancies between in vitro and in vivo blood-breath ratios of hydrophilic VOCs and yields further quantitative insights into the physiological components of isothermal rebreathing and highly soluble gas exchange in general.

  19. Design of high breakdown voltage vertical GaN p-n diodes with high-K/low-K compound dielectric structure for power electronics applications

    Science.gov (United States)

    Du, Jiangfeng; Li, Zhenchao; Liu, Dong; Bai, Zhiyuan; Liu, Yang; Yu, Qi

    2017-11-01

    In this work, a vertical GaN p-n diode with a high-K/low-K compound dielectric structure (GaN CD-VGD) is proposed and designed to achieve a record high breakdown voltage (BV) with a low specific on-resistance (Ron,sp). By introducing compound dielectric structure, the electric field near the p-n junction interface is suppressed due to the effects of high-K passivation layer, and a new electric field peak is induced into the n-type drift region, because of a discontinuity of electrical field at the interface of high-K and low-K layer. Therefore the distribution of electric field in GaN p-n diode becomes more uniform and an enhancement of breakdown voltage can be achieved. Numerical simulations demonstrate that GaN CD-VGD with a BV of 10650 V and a Ron,sp of 14.3 mΩ cm2, resulting in a record high figure-of-merit of 8 GW/cm2.

  20. Bread formulated with guava powder was enriched in phenolic and aroma compounds, and was highly acceptable by consumers.

    Science.gov (United States)

    Castelo-Branco, Vanessa N; Lago, Mabel G; Minuzzo, Daniela A; Moura-Nunes, Nathália; Torres, Alexandre G; Nunes, Juliana C; Monteiro, Mariana

    2016-12-01

    Guava powder (GP) was used as source of aroma and phenolic compounds to fortify wheat bread 10% (GB10) and 20% (GB20), substituting for wheat flour. Phenolic compounds, antioxidant capacity, volatile compounds profile, and sensory acceptability of control bread (CB; without GP) and guava breads (GB) were evaluated. Incorporation of GP increased roughly 2-to-3-fold the phenolic compounds contents of bread. Ten phenolic compounds were identified in GB20, and quercetin-3-O-rutinoside was the major compound, while in CB, ferulic acid was the major among the six phenolic compounds in CB. Bread making seemed to promote the release of phenolic compounds from structural components. Breads incorporated with GP presented a richer volatile profile than CB, especially due to the presence of terpenes. GB improved aroma profile of bread. GP added aroma compounds and phenolic antioxidants, and seemed to be an interesting approach to enhance bread bioactivity and acceptability.

  1. Ultrathin Compound Semiconductor on Insulator Layers for High-Performance Nanoscale Transistors

    Science.gov (United States)

    2010-11-11

    and n- type transistors on the same chip for complementary electronics based on the optimal III–V semiconductors. 1Electrical Engineering and...layouts for high-performance electronics on fabric, vinyl, leather , and paper. Adv. Mater. 21, 3703–3707 (2009). 17. Melosh, N. et al. Ultrahigh density

  2. Electrical resistivity of the Kondo compound CeMg under high pressures

    Science.gov (United States)

    Beille, J.; Najib, A.; Galera, R. M.; Pierre, J.

    1987-01-01

    The electrical resistivity of CeMg has been measured under pressures up to 105 kbar. The Néel temperature continuously decreases, while the amplitude of the magnetic term as well as the negative slope at high temperature increase. We deduce the variation of the coupling constant Γ as a function of pressure.

  3. Syntheses and properties of several metastable and stable hydrides derived from intermetallic compounds under high hydrogen pressure

    Energy Technology Data Exchange (ETDEWEB)

    Filipek, S.M., E-mail: sfilipek@unipress.waw.pl [Institute of High Pressure Physics PAS, ul. Sokolowska 29, 01-142 Warsaw (Poland); Paul-Boncour, V. [ICMPE-CMTR, CNRS-UPEC, 2-8 rue Henri Dunant, 94320 Thiais (France); Liu, R.S. [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Jacob, I. [Unit Nuclear Eng., Ben Gurion University of the Negev, Beer-Sheva (Israel); Tsutaoka, T. [Dept. of Sci. Educ., Grad. School of Educ., Hiroshima University, Hiroshima (Japan); Budziak, A. [Institute of Nuclear Physics PAS, 31-342 Kraków (Poland); Morawski, A. [Institute of High Pressure Physics PAS, ul. Sokolowska 29, 01-142 Warsaw (Poland); Sugiura, H. [Yokohama City University, 22-2 Seto, Kanazawa-ku, Yokohama 236-0027 (Japan); Zachariasz, P. [Institute of Electron Technology Cracow Division, ul. Zablocie 39, 30-701 Krakow (Poland); Dybko, K. [Institute of Physics, PAS, 02-668 Warsaw (Poland); Diduszko, R. [Tele and Radio Research Institute, ul. Ratuszowa 11, Warsaw (Poland)

    2016-12-01

    Brief summary of our former work on high hydrogen pressure syntheses of novel hydrides and studies of their properties is supplemented with new results. Syntheses and properties of a number of hydrides (unstable, metastable or stable in ambient conditions) derived under high hydrogen pressure from intermetallic compounds, like MeT{sub 2}, MeNi{sub 5}, Me{sub 7}T{sub 3}, Y{sub 6}Mn{sub 23} and YMn{sub 12} (where Me = zirconium, yttrium or rare earth; T = transition metal) are presented. Stabilization of ZrFe{sub 2}H{sub 4} due to surface phenomena was revealed. Unusual role of manganese in hydride forming processes is pointed out. Hydrogen induced phase transitions, suppression of magnetism, antiferromagnetic-ferromagnetic and metal-insulator or semimetal-metal transitions are described. Equations of state (EOS) of hydrides submitted to hydrostatic pressures up to 30 GPa are presented and discussed.

  4. Impaired metabolic capacity in the perirhinal and posterior parietal cortex lead to dissociation between attentional, motivational and spatial components of exploration in the Naples High-Excitability rat.

    Science.gov (United States)

    Gallo, A; Gonzalez-Lima, F; Sadile, A G

    2002-03-10

    This study aimed at investigating the neural substrates of spatial and non-spatial Behavioural components of exploration to novelty by a neurogenetic approach. Thus, functional imaging and Behavioural analysis were carried out in the Naples High-Excitability (NHE) rats, a model of hyperactivity and attention-deficit. Quantitative cytochrome oxidase (C.O.) histochemistry was used to measure the basal metabolic capacity of different forebrain structures. In parallel experiments, exploration in an 8-arm radial maze (Olton-maze) with extra-maze cues was used to measure attentional, motivational and spatial components of Behaviour after feeding rats' ad-libitum or at a reduced diet. Functional imaging analysis: brains from naive rats were stained for quantitative C.O. histochemistry along with standards. NHE rats showed lower C.O. activity in perirhinal and posterior-parietal cortex (all layers) and cortical amygdala, and greater activity in entorhinal cortex (superficial layers). The outer granular cell layer of the dentate gyrus had greater activity in NHE. Behavioural analysis: at low and high motivational level, maze exploration was reinforced during shaping throughout and then only a single arm. The Behaviour was monitored by a CCD camera and videotaped. (i) There was no line difference in working memory during non reinforced maze exploration, independent of the motivational level; (ii) during shaping with all baited arms, there was no line difference in working memory, but NHE rats showed a very low or lower food consumption at low and high motivational level, respectively; (iii) rats showed a higher working memory in finding the single baited arm at high motivational level; (iv) NHE rats paid little attention towards reinforcement upon visiting the baited arm only at low motivational level. Thus, Behavioural and functional neuroimaging analysis suggests the neural substrates of spatial and non-spatial components of exploration to be underlined by different

  5. Biogenic volatile organic compound emissions along a high arctic soil moisture gradient

    DEFF Research Database (Denmark)

    Svendsen, Sarah Hagel; Lindwall, Frida; Michelsen, Anders

    2016-01-01

    emissions from a high arctic soil moisture gradient extending from dry tundra to a wet fen. Ecosystem BVOC emissions were sampled five times in the July-August period using a push-pull enclosure technique, and BVOCs trapped in absorbent cartridges were analyzed using gas chromatography-mass spectrometry....... Plant species compositions were estimated using the point intercept method. In order to take into account important underlying ecosystem processes, gross ecosystem production, ecosystem respiration and net ecosystem production were measured in connection with chamber-based BVOC measurements. Highest...... emissions of BVOCs were found from vegetation communities dominated by Salix arctica and Cassiope tetragona, which had emission profiles dominated by isoprene and monoterpenes, respectively. These results show that emissions of BVOCs are highly dependent on the plant cover supported by the varying soil...

  6. Influence of capillary die geometry on wall slip of highly filled powder injection molding compounds

    Czech Academy of Sciences Publication Activity Database

    Sanétrník, D.; Hausnerová, B.; Filip, Petr; Hnátková, E.

    2018-01-01

    Roč. 325, February (2018), s. 615-619 ISSN 0032-5910 R&D Projects: GA ČR GA17-26808S Grant - others:Ministerstvo školství, mládeže a tělovýchovy (MŠMT)(CZ) LO1504 Institutional support: RVO:67985874 Keywords : powder injection molding * highly filled polymer * wall slip * capillary entrance angle Subject RIV: BK - Fluid Dynamics Impact factor: 2.942, year: 2016

  7. High-field magnetic transitions in the R sub 2 T sub 17 compounds

    Energy Technology Data Exchange (ETDEWEB)

    Franse, J.J.M.; Sinnema, S. (Amsterdam Univ. (NL). Natuurkundig Lab.); Radwanski, R.J. (University of Mining and Metallurgy, Krakow (PL). Solid State Physics Dept.)

    1988-12-01

    In the past few years high-field magnetic transitions have been extensively studied for a number of single crystalline samples of the R{sub 2}T{sub 17} series (R = rare earths, T = Co or Fe). The transitions observed in Ho{sub 2}Co{sub 17} and Dy{sub 2}Co{sub 17} are exchange-driven transitions connected with a breaking of the ferromagnetic structure and only occur in applied fields above 20 T.

  8. Excitation functions and mass asymmetric fission barriers for compound nuclei sup 7 sup 0 sup , sup 7 sup 6 Se 24.60.Dr; 25.85.Ge; 24.75.+i; Nuclear reactions 12C(58,64Ni,X); E=6-14A MeV; Measured sigma(Z) vs E; Deduced mass asymmetric fission barriers for 70,76Se; Transition state fission rates

    CERN Document Server

    Fan, T S; Phair, L; Tso, K; McMahan, M; Hanold, K A; Wozniak, G J; Moretto, L G

    2000-01-01

    Excitation functions were measured for complex fragments with atomic number Z=5-20 emitted from the compound nuclei sup 7 sup 0 sup , sup 7 sup 6 Se produced in the reactions sup 5 sup 8 sup , sup 6 sup 4 Ni+ sup 1 sup 2 C. Mass asymmetric fission barriers were extracted by fitting the excitation functions with a transition state formalism. The extracted barriers were compared with those calculated from macroscopic nuclear models. The measured barriers for symmetric fission seem to support the hypothesis of a shape-dependent congruence energy, which doubles for fission of strongly indented saddle-point shapes. All of the measured excitation functions can be scaled onto a single straight line according to the transition state prediction.

  9. High-definition transcranial direct-current stimulation of the right M1 further facilitates left M1 excitability during crossed-facilitation.

    Science.gov (United States)

    Cabibel, Vincent; Muthalib, Mark Makii; Teo, Wei-Peng; Perrey, Stephane

    2018-01-10

    The crossed-facilitation (CF) effect refers to when motor-evoked potentials (MEPs) evoked in the relaxed muscles of one arm are facilitated by contraction of the opposite arm. The aim of this study was to determine if high-definition transcranial direct current stimulation (HD-tDCS) applied to the right primary motor cortex (M1) controlling the left contracting arm (50% maximum voluntary isometric contraction-MVIC) would further facilitate CF towards the relaxed right arm. Seventeen healthy right-handed subjects participated in an anodal and cathodal or sham HD-tDCS session of the right M1 (2 mA for 20 min) separated by at least 48 h. Single-pulse transcranial magnetic stimulation (TMS) was used to elicit MEPs and cortical silent periods (CSPs) from the left M1 at baseline, 10 mins into, and after right M1 HD-tDCS. At baseline, compared to resting, CF (i.e., right arm resting, left arm 50% MVIC) increased left M1 MEP amplitudes (+97%) and decreased CSPs (-11%). The main novel finding was that right M1 HD-tDCS further increased left M1 excitability (+28.3%) and inhibition (+21%) from baseline levels during CF of the left M1 with no difference between anodal and cathodal HD-tDCS sessions. No modulation of CSP or MEP was observed during sham HD-tDCS session. Our findings suggest that CF of the left M1 combined with right M1 anodal or cathodal HD-tDCS further facilitated interhemispheric interactions during CF from the right M1 (contracting left arm) toward the left M1 (relaxed right arm) with effects on both excitatory and inhibitory processing.

  10. EPA Method 8321B (SW-846): Solvent-Extractable Nonvolatile Compounds by High Performance Liquid Chromatography-Thermospray-Mass Spectrometry (HPLC-TS-MS) or Ultraviolet (UV) Detection

    Science.gov (United States)

    Method 8321B describes procedures for preparation and analysis of solid, aqueous liquid, drinking water and wipe samples using high performance liquid chromatography and mass spectrometry for extractable non-volatile compounds.

  11. THE MODERN APPROACH TO THE QUALITY INCREASE OF CASTING BLOCKS AND HIGH-PERFORMANCE COMPOUNDS FOR PROCESSING OF MELTS ON THE BASIS OF ALUMINUIM

    Directory of Open Access Journals (Sweden)

    S. P. Zadrutski

    2005-01-01

    Full Text Available In the article there is given the group of measures, aimed at increase of quality of cast ingots and of high-performance compounds for processing of melts on the basis of aluminium.

  12. Filtration improves the performance of a high-throughput screen for anti-mycobacterial compounds.

    Directory of Open Access Journals (Sweden)

    Nancy Cheng

    Full Text Available The tendency for mycobacteria to aggregate poses a challenge for their use in microplate based assays. Good dispersions have been difficult to achieve in high-throughput screening (HTS assays used in the search for novel antibacterial drugs to treat tuberculosis and other related diseases. Here we describe a method using filtration to overcome the problem of variability resulting from aggregation of mycobacteria. This method consistently yielded higher reproducibility and lower variability than conventional methods, such as settling under gravity and vortexing.

  13. High-power radio frequency pulse generation and extration based on wakefield excited by an intense charged particle beam in dielectric-loaded waveguides.

    Energy Technology Data Exchange (ETDEWEB)

    Gao, F.; High Energy Physics; Illinois Inst. of Tech

    2009-07-24

    Power extraction using a dielectric-loaded (DL) waveguide is a way to generate high-power radio frequency (RF) waves for future particle accelerators, especially for two-beam-acceleration. In a two-beam-acceleration scheme, a low-energy, high-current particle beam is passed through a deceleration section of waveguide (decelerator), where the power from the beam is partially transferred to trailing electromagnetic waves (wakefields); then with a properly designed RF output coupler, the power generated in the decelerator is extracted to an output waveguide, where finally the power can be transmitted and used to accelerate another usually high-energy low-current beam. The decelerator, together with the RF output coupler, is called a power extractor. At Argonne Wakefield Accelerator (AWA), we designed a 7.8GHz power extractor with a circular DL waveguide and tested it with single electron bunches and bunch trains. The output RF frequency (7.8GHz) is the sixth harmonic of the operational frequency (1.3GHz) of the electron gun and the linac at AWA. In single bunch excitation, a 1.7ns RF pulse with 30MW of power was generated by a single 66nC electron bunch passing through the decelerator. In subsequent experiments, by employing different splitting-recombining optics for the photoinjector laser, electron bunch trains were generated and thus longer RF pulses could be successfully generated and extracted. In 16-bunch experiments, 10ns and 22ns RF pulses have been generated and extracted; and in 4-bunch experiments, the maximum power generated was 44MW with 40MW extracted. A 26GHz DL power extractor has also been designed to test this technique in the millimeter-wave range. A power level of 148MW is expected to be generated by a bunch train with a bunch spacing of 769ps and bunch charges of 20nC each. The arrangement for the experiment is illustrated in a diagram. Higher-order-mode (HOM) power extraction has also been explored in a dual-frequency design. By using a bunch

  14. Creating Binary Cu–Bi Compounds via High-Pressure Synthesis: A Combined Experimental and Theoretical Study

    Energy Technology Data Exchange (ETDEWEB)

    Clarke, Samantha M.; Amsler, Maximilian; Walsh, James P.S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Wolverton, Chris; Freedman, Danna E. (UC); (CIW); (NWU)

    2017-06-13

    Exploration beyond the known phase space of thermodynamically stable compounds into the realm of metastable materials is a frontier of materials chemistry. The application of high pressure in experiment and theory provides a powerful vector by which to explore this uncharted phase space, allowing discovery of complex new structures and bonding in the solid state. We harnessed this approach for the Cu–Bi system, where the realization of new phases offers potential for exotic properties such as superconductivity. This potential is due to the presence of bismuth, which, by virtue of its status as one of the heaviest stable elements, forms a critical component in emergent materials such as superconductors and topological insulators. To fully investigate and understand the Cu–Bi system, we welded theoretical predictions with experiment to probe the Cu–Bi system under high pressures. By employing the powerful approach of in situ X-ray diffraction in a laser-heated diamond anvil cell (LHDAC), we thoroughly explored the high-pressure and high-temperature (high-PT) phase space to gain insight into the formation of intermetallic compounds at these conditions. We employed density functional theory (DFT) calculations to calculate a pressure versus temperature phase diagram, which correctly predicts that CuBi is stabilized at lower pressures than Cu11Bi7, and allows us to uncover the thermodynamic contributions responsible for the stability of each phase. Detailed comparisons between the NiAs structure type and the two high-pressure Cu–Bi phases, Cu11Bi7 and CuBi, reveal the preference for elemental segregation within the Cu–Bi phases, and highlight the unique channels and layers formed by ordered Cu vacancies. The electron localization function from DFT calculations account for the presence of these “voids” as a manifestation of the lone pair orientation on the Bi atoms. Our study demonstrates the power of joint experimental–computational work in exploring the

  15. Non-targeted workflow for identification of antimicrobial compounds in animal feed using bioassay-directed screening in combination with liquid chromatography-high resolution mass spectrometry.

    Science.gov (United States)

    Wegh, Robin S; Berendsen, Bjorn J A; Driessen-Van Lankveld, Wilma D M; Pikkemaat, Mariël G; Zuidema, Tina; Van Ginkel, Leen A

    2017-11-01

    A non-targeted workflow is reported for the isolation and identification of antimicrobial active compounds using bioassay-directed screening and LC coupled to high-resolution MS. Suspect samples are extracted using a generic protocol and fractionated using two different LC conditions (A and B). The behaviour of the bioactive compound under these different conditions yields information about the physicochemical properties of the compound and introduces variations in co-eluting compounds in the fractions, which is essential for peak picking and identification. The fractions containing the active compound(s) obtained with conditions A and B are selected using a microbiological effect-based bioassay. The selected bioactive fractions from A and B are analysed using LC combined with high-resolution MS. Selection of relevant signals is automatically carried out by selecting all signals present in both bioactive fractions A and B, yielding tremendous data reduction. The method was assessed using two spiked feed samples and subsequently applied to two feed samples containing an unidentified compound showing microbial growth inhibition. In all cases, the identity of the compound causing microbiological inhibition was successfully confirmed.

  16. Elicitation, an Effective Strategy for the Biotechnological Production of Bioactive High-Added Value Compounds in Plant Cell Factories

    Directory of Open Access Journals (Sweden)

    Karla Ramirez-Estrada

    2016-02-01

    Full Text Available Plant in vitro cultures represent an attractive and cost-effective alternative to classical approaches to plant secondary metabolite (PSM production (the “Plant Cell Factory” concept. Among other advantages, they constitute the only sustainable and eco-friendly system to obtain complex chemical structures biosynthesized by rare or endangered plant species that resist domestication. For successful results, the biotechnological production of PSM requires an optimized system, for which elicitation has proved one of the most effective strategies. In plant cell cultures, an elicitor can be defined as a compound introduced in small concentrations to a living system to promote the biosynthesis of the target metabolite. Traditionally, elicitors have been classified in two types, abiotic or biotic, according to their chemical nature and exogenous or endogenous origin, and notably include yeast extract, methyl jasmonate, salicylic acid, vanadyl sulphate and chitosan. In this review, we summarize the enhancing effects of elicitors on the production of high-added value plant compounds such as taxanes, ginsenosides, aryltetralin lignans and other types of polyphenols, focusing particularly on the use of a new generation of elicitors such as coronatine and cyclodextrins.

  17. Formation of volatile compounds in kefir made of goat and sheep milk with high polyunsaturated fatty acid content.

    Science.gov (United States)

    Cais-Sokolińska, D; Wójtowski, J; Pikul, J; Danków, R; Majcher, M; Teichert, J; Bagnicka, E

    2015-10-01

    This article explored the formation of volatile compounds during the production of kefir from goat and sheep milks with high polyunsaturated fatty acids (PUFA) as a result of feeding animals forage supplemented with maize dried distillers grains with solubles (DDGS). The increased PUFA content of the goat and sheep milks resulted in significant changes to the fermentation process. In particular, apart from an increase in the time taken to ferment sheep milk, fermentation yielded less 2,3-butanedione. The highest quantities of this compound were assayed in kefir produced from goat milk with an increased content of PUFA. An increase of PUFA significantly elevated ethanal synthesis during lactose-alcohol fermentation of sheep milk. Neither the origin of milk (sheep or goat) nor the level of PUFA had any statistical effect on the amount of ethanal assayed during the fermentation of milk and within the finished product. The proportion of l(+)-lactic acid was higher in kefirs produced using goat milk compared with sheep milk and did not depend on the content of PUFA in milk fat. The content of PUFA had a significant effect on the aroma profile of the resulting kefirs. An increase in PUFA content resulted in the loss of whey aroma in goat milk kefirs and the animal odor in sheep milk kefirs, and a creamy aroma became more prevalent in kefirs made from sheep milk. Copyright © 2015 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  18. Selenium compounds induce ROS in human high-metastatic large cell lung cancer cell line L9981

    Directory of Open Access Journals (Sweden)

    Chengfei LIU

    2008-06-01

    Full Text Available Background and objective It has been proved that methylseleninic acid (MSA is a kind of artificially developed selenium compound, which appeared to be the best candidate for cancer prevention and therapy. Reduced glutathione is not only critical to MSA metabolism, but also is a kind of protective antioxidant which could remove the oxygen free radical promptly and maintain the intracellular redox status stable. The aim of this study is to explore the anticancer effects of ROS induced by MSA and the molecular mechanisms of MSA on induction of ROS. Methods We confirmed that MSA and selenite have the anticancer effect in the human high-metastatic large cell lung cancer cell line L9981 by growth inhibition detection, we detect the ROS induced by MSA and selenite in L9981 by fluorescence microscopy, and use flow cytometry to quantitate the ROS induced by NAC together with selenium compounds. Results ①MSA 2.5 μM and 5.0 μM selenite could inhibit the L9981 growth, Increasing the concentration resulted in a more pronounced effect. ②MSA and selenite could induce ROS in L9981. ③incubated NAC with selenite could significantly inhibit the ROS but increase the ROS treated by NAC with MSA. Conclusions ①MSA and selenite had anti-L9981 effect. ②Oxidative stress reaction may participate in the induction of apoptosis by MSA and selenite in lung cancer cell line L9981.

  19. Purity analyses of high-purity organic compounds with nitroxyl radicals based on the Curie–Weiss law

    Energy Technology Data Exchange (ETDEWEB)

    Matsumoto, Nobuhiro, E-mail: nobu-matsumoto@aist.go.jp; Shimosaka, Takuya [National Metrology Institute of Japan (NMIJ), National Institute of Advanced Industrial Science and Technology (AIST), AIST Central-3, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8563 (Japan)

    2015-05-07

    This work reports an attempt to quantify the purities of powders of high-purity organic compounds with stable nitroxyl radicals (namely, 2,2,6,6-tetramethylpiperidine 1-oxyl (TEMPO), 1-oxyl-2,2,6,6-tetramethyl-4-hydroxypiperidine (TEMPOL), and 4-hydroxy-2,2,6,6-tetramethylpiperidine 1-oxyl benzoate (4-hydroxy-TEMPO benzoate)) in terms of mass fractions by using our “effective magnetic moment method,” which is based on both the Curie–Weiss law and a fundamental equation of electron paramagnetic resonance (ESR). The temperature dependence of the magnetic moment resulting from the radicals was measured with a superconducting quantum interference device magnetometer. The g value for each compound was measured with an X-band ESR spectrometer. The results of the purities were (0.998 ± 0.064) kg kg{sup −1} for TEMPO, (1.019 ± 0.040) kg kg{sup −1} for TEMPOL, and (1.001 ± 0.048) kg kg{sup −1} for 4-hydroxy-TEMPO benzoate. These results demonstrate that this analytical method as a future candidate of potential primary direct method can measure the purities with expanded uncertainties of approximately 5%.

  20. Detection and identification of breast cancer volatile organic compounds biomarkers using highly-sensitive single nanowire array on a chip.

    Science.gov (United States)

    Xu, Yiwen; Lee, Hyunjoong; Hu, Yushi; Huang, Jiyong; Kim, Suhwan; Yun, Minhee

    2013-07-01

    A single nanowire array on a chip with different materials of Palladium, Polypyrrole and Zinc Oxide has been fabricated using electrochemical deposition method. The fabricated single nanowire array has been demonstrated for highly sensitive and specific diagnosis of breast cancer by detecting four volatile organic compound biomarkers: Heptanal, Acetophenone, Isopropyl Myristate and 2-Propanol. The demonstrated sensing limits for Heptanal, Acetophenone, Isopropyl Myristate and 2-propanol using individual Palladium, Polypyrrole and Zinc Oxide nanowires were 8.982 ppm, 798 ppb, 134 ppm, and 129.5 ppm, respectively, and the corresponding sensitivities of resistance change were in the range of 0.3%-5% which indicated excellent sensing performance of the single nanowires. The response time for Palladium, Polypyrrole and Zinc Oxide nanowires to achieve maximum conductance change was less than 200 seconds while also illustrating excellent signal repeatability. With the principal component analysis of the resistance change versus time in each detection period of the nanowire array, the smell prints for the four volatile organic compounds biomarkers of Breast Cancer are discriminated in the 3-D plots.

  1. Extraction of semivolatile organic compounds from high-efficiency particulate air (HEPA) filters by supercritical carbon dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Schilling, J.B.

    1997-09-01

    Supercritical fluid extraction (SFE) using unmodified carbon dioxide has been explored as an alternative method for the extraction of semivolatile organic compounds from high-efficiency particulate air (HEPA) filters. HEPA filters provide the final stage of containment on many exhaust systems in US Department of Energy (DOE) facilities by preventing the escape of chemical and radioactive materials entrained in the exhausted air. The efficiency of the filters is tested by the manufacturer and DOE using dioctylphthalate (DOP), a substance regulated by the US Environmental Protection Agency under the Resource Conservation and Recovery Act. Therefore, the filters must be analyzed for semivolatile organics before disposal. Ninety-eight acid, base, and neutral semivolatile organics were spiked onto blank HEPA material and extracted using SFE, Soxhlet, automated Soxhlet, and sonication techniques. The SFE conditions were optimized using a Dionex SFE-703 instrument. Average recoveries for the 98 semivolatile compounds are 82.7% for Soxhlet, 74.0% for sonication, 70.2% for SFE, and 62.9% for Soxtec. Supercritical fluid extraction reduces the extraction solvent volume to 10--15 mL, a factor of 20--30 less than Soxhlet and more than 5 times less than Soxtec and sonication. Extraction times of 30--45 min are used compared to 16--18 h for Soxhlet extraction.

  2. High-performance liquid chromatographic analysis of anthraquinone compounds in the Laurera benguelensis

    Science.gov (United States)

    Manojlović, N.; Marković, Z.; Gritsanapan, W.; Boonpragob, K.

    2009-09-01

    A high-performance liquid chromatographic (HPLC) method has been developed for the characterization of anthraquinone metabolites in extracts of the lichen Laurera benguelensis. With this method four anthraquinone derivatives 1,8-dihydroxy-3-methoxy-6-methylanthraquinone, 1,8-dihydroxy-3-formyl-6-methoxyanthraquinone, 1,8-dihydroxy-3-hydroxymethyl-6-methoxy-anthraquinone and 1,3,8-trihyroxy-6-methylanthraquinone can be analyzed. Components of lichen were detected by characteristic ultraviolet spectra and relative retention times. This is first report of phytochemical analysis of L. benguelensis. Importance of this research is in recognizing some new source (lichen and its extracts) as a natural emplacement of antioxidants because oxidation with free radicals or autooxidation is big problem for preservation of food products.

  3. A multi-parameter, high-content, high-throughput screening platform to identify natural compounds that modulate insulin and Pdx1 expression.

    Directory of Open Access Journals (Sweden)

    Jessica A Hill

    2010-09-01

    Full Text Available Diabetes is a devastating disease that is ultimately caused by the malfunction or loss of insulin-producing pancreatic beta-cells. Drugs capable of inducing the development of new beta-cells or improving the function or survival of existing beta-cells could conceivably cure this disease. We report a novel high-throughput screening platform that exploits multi-parameter high-content analysis to determine the effect of compounds on beta-cell survival, as well as the promoter activity of two key beta-cell genes, insulin and pdx1. Dispersed human pancreatic islets and MIN6 beta-cells were infected with a dual reporter lentivirus containing both eGFP driven by the insulin promoter and mRFP driven by the pdx1 promoter. B-score statistical transformation was used to correct systemic row and column biases. Using this approach and 5 replicate screens, we identified 7 extracts that reproducibly changed insulin and/or pdx1 promoter activity from a library of 1319 marine invertebrate extracts. The ability of compounds purified from these extracts to significantly modulate insulin mRNA levels was confirmed with real-time PCR. Insulin secretion was analyzed by RIA. Follow-up studies focused on two lead compounds, one that stimulates insulin gene expression and one that inhibits insulin gene expression. Thus, we demonstrate that multi-parameter, high-content screening can identify novel regulators of beta-cell gene expression, such as bivittoside D. This work represents an important step towards the development of drugs to increase insulin expression in diabetes and during in vitro differentiation of beta-cell replacements.

  4. High Throughput Screening of Natural Phenolic Compounds Against Migration of Metastatic Triple-Negative Breast Cancer (TNBC) Cells

    OpenAIRE

    Nasrollahi, Samila

    2013-01-01

    In this report, we hypothesize that natural phenolic compounds may present a new class of chemotherapeutics against migration of metastatic triple-negative breast cancers (TNBC). In this project we will screen a small library of phenolic compounds to test this hypothesis, identify compounds that show efficacy against TNBC cell migration, and elucidate underlying molecular mechanisms.

  5. Highly efficient extraction of phenolic compounds by use of magnetic room temperature ionic liquids for environmental remediation

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Ning [School of Chemical Engineering, Hefei University of Technology, Hefei, Anhui Province 230009 (China); Li, Min; Zhao, Lijie; Lu, Chengfei; Rooy, Sergio L. de [Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803 (United States); Warner, Isiah M., E-mail: iwarner@lsu.edu [Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803 (United States)

    2011-09-15

    Highlights: {yields} Novel separation technique based on the use of magnetic extraction. {yields} Using a magnetic room temperature ionic liquid for removal of hazardous phenols from contaminated soil samples. {yields} Inherently safer and cleaner technique demonstrated highest extraction capacity as compared with previous regular non-magnetic RTILs. {yields} Successfully remove highly hazardous pentachlorophenol from superfund site contaminated soil samples with extremely high extraction capacity. {yields} Contributions of our work focus primarily on remediation of contaminated soil and groundwater. - Abstract: A hydrophobic magnetic room temperature ionic liquid (MRTIL), trihexyltetradecylphosphonium tetrachloroferrate(III) ([3C{sub 6}PC{sub 14}][FeCl{sub 4}]), was synthesized from trihexyltetradecylphosphonium chloride and FeCl{sub 3}.6H{sub 2}O. This MRTIL was investigated as a possible separation agent for solvent extraction of phenolic compounds from aqueous solution. Due to its strong paramagnetism, [3C{sub 6}PC{sub 14}][FeCl{sub 4}] responds to an external neodymium magnet, which was employed in the design of a novel magnetic extraction technique. The conditions for extraction, including extraction time, volume ratio between MRTIL and aqueous phase, pH of aqueous solution, and structures of phenolic compounds were investigated and optimized. The magnetic extraction of phenols achieved equilibrium in 20 min and the phenolic compounds were found to have higher distribution ratios under acidic conditions. In addition, it was observed that phenols containing a greater number of chlorine or nitro substituents exhibited higher distribution ratios. For example, the distribution ratio of phenol (D{sub Ph}) was 107. In contrast, 3,5-dichlorophenol distribution ratio (D{sub 3,5-DCP}) had a much higher value of 6372 under identical extraction conditions. When compared with four selected traditional non-magnetic room temperature ionic liquids, our [3C{sub 6}PC{sub 14

  6. Nuclear expansion with excitation

    Energy Technology Data Exchange (ETDEWEB)

    De, J.N. [Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700064 (India); Departament d' Estructura i Constituents de la Materia, Facultat de Fisica, Universitat de Barcelona, Diagonal 647, 08028 Barcelona (Spain); Samaddar, S.K. [Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700064 (India); Vinas, X. [Departament d' Estructura i Constituents de la Materia, Facultat de Fisica, Universitat de Barcelona, Diagonal 647, 08028 Barcelona (Spain); Centelles, M. [Departament d' Estructura i Constituents de la Materia, Facultat de Fisica, Universitat de Barcelona, Diagonal 647, 08028 Barcelona (Spain)]. E-mail: mario@ecm.ub.es

    2006-07-06

    The expansion of an isolated hot spherical nucleus with excitation energy and its caloric curve are studied in a thermodynamic model with the SkM{sup *} force as the nuclear effective two-body interaction. The calted results are shown to compare well with the recent experimental data from energetic nuclear collisions. The fluctuations in temperature and density are also studied. They are seen to build up very rapidly beyond an excitation energy of {approx}9 MeV/u. Volume-conserving quadrupole deformation in addition to expansion indicates, however, nuclear disassembly above an excitation energy of {approx}4 MeV/u.

  7. Bioaccessible Porosity in Soil Aggregates and Implications for Biodegradation of High Molecular Weight Petroleum Compounds.

    Science.gov (United States)

    Akbari, Ali; Ghoshal, Subhasis

    2015-12-15

    We evaluated the role of soil aggregate pore size on biodegradation of essentially insoluble petroleum hydrocarbons that are biodegraded primarily at the oil-water interface. The size and spatial distribution of pores in aggregates sampled from biodegradation experiments of a clayey, aggregated, hydrocarbon-contaminated soil with relatively high bioremediation end point were characterized by image analyses of X-ray micro-CT scans and N2 adsorption. To determine the bioaccessible pore sizes, we performed separate experiments to assess the ability of hydrocarbon degrading bacteria isolated from the soil to pass through membranes with specific sized pores and to access hexadecane (model insoluble hydrocarbon). Hexadecane biodegradation occurred only when pores were 5 μm or larger, and did not occur when pores were 3 μm and smaller. In clayey aggregates, ∼ 25% of the aggregate volume was attributed to pores larger than 4 μm, which was comparable to that in aggregates from a sandy, hydrocarbon-contaminated soil (~23%) scanned for comparison. The ratio of volumes of inaccessible pores (4 μm) in the clayey aggregates was 0.32, whereas in the sandy aggregates it was approximately 10 times lower. The role of soil microstructure on attainable bioremediation end points could be qualitatively assessed in various soils by the aggregate characterization approach outlined herein.

  8. Modulation of PPAR Expression and Activity in Response to Polyphenolic Compounds in High Fat Diets

    Directory of Open Access Journals (Sweden)

    J. Abraham Domínguez-Avila

    2016-06-01

    Full Text Available Peroxisome proliferator-activated receptors (PPAR are transcription factors that modulate energy metabolism in liver, adipose tissue and muscle. High fat diets (HFD can negatively impact PPAR expression or activity, favoring obesity, dyslipidemia, insulin resistance and other conditions. However, polyphenols (PP found in vegetable foodstuffs are capable of positively modulating this pathway. We therefore focused this review on the possible effects that PP can have on PPAR when administered together with HFD. We found that PP from diverse sources, such as coffee, olives, rice, berries and others, are capable of inducing the expression of genes involved in a decrease of adipose mass, liver and serum lipids and lipid biosynthesis in animal and cell models of HFD. Since cells or gut bacteria can transform PP into different metabolites, it is possible that a synergistic or antagonistic effect ultimately occurs. PP molecules from vegetable sources are an interesting option to maintain or return to a state of energy homeostasis, possibly due to an adequate PPAR expression and activity.

  9. State-selective electron transfer and ionization in collisions of highly charged ions with ground-state Na(3s) and laser-excited Na*(3p)

    NARCIS (Netherlands)

    Blank, I.; Otranto, S.; Meinema, C.; Olson, R. E.; Hoekstra, R.

    2012-01-01

    Single electron transfer and ionization in collisions of N5+ and Ne8+ with ground state Na(3s) and laser excited Na*(3p) are investigated both experimentally and theoretically at collision energies from 1 to 10 keV/amu, which includes the classical orbital velocity of the valence electron.

  10. Identification of Organic Iodine Compounds and Their Transformation Products in Edible Iodized Salt Using Liquid Chromatography-High Resolution Mass Spectrometry.

    Science.gov (United States)

    Yun, Lifen; Peng, Yue'e; Chang, Qing; Zhu, Qingxin; Guo, Wei; Wang, Yanxin

    2017-07-05

    The consumption of edible iodized salt is a key strategy to control and eliminate iodine deficiency disorders worldwide. We herein report the identification of the organic iodine compounds present in different edible iodized salt products using liquid chromatography combined with high resolution mass spectrometry. A total of 38 organic iodine compounds and their transformation products (TPs) were identified in seaweed iodine salt from China. Our experiments confirmed that the TPs were generated by the replacement of I atoms from organic iodine compounds with Cl atoms. Furthermore, the organic iodine compound contents in 4 seaweed iodine salt samples obtained from different manufacturers were measured, with significant differences in content being observed. We expect that the identification of organic iodine compounds in salt will be important for estimating the validity and safety of edible iodized salt products.

  11. Dietary cholesterol modulates the excitability of rabbit hippocampal CA1 pyramidal neurons.

    Science.gov (United States)

    Wang, Desheng; Schreurs, Bernard G

    2010-08-02

    Previous work has shown high dietary cholesterol can affect learning and memory including rabbit eyeblink conditioning and this effect may be due to increased membrane cholesterol and enhanced hippocampal amyloid beta production. This study investigated whether dietary cholesterol modulates rabbit hippocampal CA1 neuron membrane properties known to be involved in rabbit eyeblink conditioning. Whole-cell current clamp recordings in hippocampal neurons from rabbits fed 2 percent cholesterol or normal chow for 8 weeks revealed changes including decreased after-hyperpolarization amplitudes (AHPs) - an index of membrane excitability shown to be important for rabbit eyeblink conditioning. This index was reversed by adding copper to drinking water - a dietary manipulation that can retard rabbit eyeblink conditioning. Evidence of cholesterol effects on membrane excitability was provided by application of methyl-beta-cyclodextrin, a compound that reduces membrane cholesterol, which increased the excitability of hippocampal CA1 neurons.

  12. High intensity pulsed electric field as an innovative technique for extraction of bioactive compounds-A review.

    Science.gov (United States)

    Yan, Liang-Gong; He, Lang; Xi, Jun

    2017-09-02

    How to extract bioactive compounds safely and efficiently is one of the problems for the food and pharmaceutical industry. In recent years, several novel extraction techniques have been proposed. To pursue a more efficient method for industrial production, high intensity pulsed electric field (HIPEF) extraction technique has been developed. HIPEF extraction technique, which is based on the conventional pulsed electric field (PEF), provided higher electric field intensity and a special continuous extraction system, and it has confirmed less extraction time, higher extraction yield, and mild processing temperature. So this innovative technique is promising for application of industrial production. This review was devoted to introducing the recent achievement of HIPEF extraction technique, including novel HIPEF continuous extraction system, principles and mechanisms; the critical process factors influencing its performance applications; and comparison of HIPEF extraction with other extraction techniques. In the end, the defects and future trends of HIPEF extraction were also discussed.

  13. Effect of ultra-high pressure homogenisation processing on phenolic compounds, antioxidant capacity and anti-glucosidase of mulberry juice.

    Science.gov (United States)

    Yu, Yuanshan; Xu, Yujuan; Wu, Jijun; Xiao, Gengsheng; Fu, Mangqin; Zhang, Yousheng

    2014-06-15

    In this study, the effects of ultra-high pressure homogenisation (UHPH) processing at 200 MPa for 1-3 successive passes (inlet temperatures at 4°C) were compared with pasteurisation (95°C, 1 min) processing on phenolic compounds, antioxidant capacity (ORAC value) and anti-glucosidase of mulberry juice. Compared with thermal pasteurisation processing, the more reductions in the anthocyanins, phenolic acids (gallic, protocatechuic, caffeic and p-coumaric acids, and a unknown hydroxycinnamic acid) and quercetin aglycone contents, as well as ORAC value were observed during UHPH processing of mulberry juice, whereas all reductions above during UHPH processing could be inhibited by adding ascorbic acid to mulberry juice. Besides, no significant change (p>0.05) in the α-glucosidase inhibitory activity was observed during UHPH processing of mulberry juice, but showed a 14% reduction in mulberry juice processed by thermal pasteurisation. Copyright © 2013 Elsevier Ltd. All rights reserved.

  14. Effect of high hydrostatic pressure on phenolic compounds, ascorbic acid and antioxidant activity in cashew apple juice

    Science.gov (United States)

    Queiroz, C.; Moreira, C. F. F.; Lavinas, F. C.; Lopes, M. L. M.; Fialho, E.; Valente-Mesquita, V. L.

    2010-12-01

    The cashew apple is native to Brazil, but there is insufficient information regarding the nutritional properties of this fruit. The objective of this study was to evaluate the impact of high pressure processing (HPP) at room temperature (25 °C) on phenolic compound and ascorbic acid contents and antioxidant capacity of cashew apple juice. This study showed that HPP at 250 or 400 MPa for 3, 5 and 7 min did not change pH, acidity, total soluble solids, ascorbic acid or hydrolysable polyphenol contents. However, juice pressurized for 3 and 5 min showed higher soluble polyphenol contents. Antioxidant capacity, measured by the ferric-reducing antioxidant power method, was not altered by HPP, but when treated at 250 MPa for 3 min, it resulted in an increased value when 2,2-diphenyl-1-picrylhydrazyl was used. These data demonstrate that HPP can be used in the food industry for the generation of products with higher nutritional quality.

  15. High-performance liquid chromatography separation of unsaturated organic compounds by a monolithic silica column embedded with silver nanoparticles.

    Science.gov (United States)

    Zhu, Yang; Morisato, Kei; Hasegawa, George; Moitra, Nirmalya; Kiyomura, Tsutomu; Kurata, Hiroki; Kanamori, Kazuyoshi; Nakanishi, Kazuki

    2015-08-01

    The optimization of a porous structure to ensure good separation performances is always a significant issue in high-performance liquid chromatography column design. Recently we reported the homogeneous embedment of Ag nanoparticles in periodic mesoporous silica monolith and the application of such Ag nanoparticles embedded silica monolith for the high-performance liquid chromatography separation of polyaromatic hydrocarbons. However, the separation performance remains to be improved and the retention mechanism as compared with the Ag ion high-performance liquid chromatography technique still needs to be clarified. In this research, Ag nanoparticles were introduced into a macro/mesoporous silica monolith with optimized pore parameters for high-performance liquid chromatography separations. Baseline separation of benzene, naphthalene, anthracene, and pyrene was achieved with the theoretical plate number for analyte naphthalene as 36,000 m(-1). Its separation function was further extended to cis/trans isomers of aromatic compounds where cis/trans stilbenes were chosen as a benchmark. Good separation of cis/trans-stilbene with separation factor as 7 and theoretical plate number as 76,000 m(-1) for cis-stilbene was obtained. The trans isomer, however, is retained more strongly, which contradicts the long- established retention rule of Ag ion chromatography. Such behavior of Ag nanoparticles embedded in a silica column can be attributed to the differences in the molecular geometric configuration of cis/trans stilbenes. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Evidence of dynamical dipole excitation in the fusion-evaporation of the 40Ca+152Sm heavy system

    Science.gov (United States)

    Parascandolo, C.; Pierroutsakou, D.; Alba, R.; Del Zoppo, A.; Maiolino, C.; Santonocito, D.; Agodi, C.; Baran, V.; Boiano, A.; Colonna, M.; Coniglione, R.; De Filippo, E.; Di Toro, M.; Emanuele, U.; Farinon, F.; Guglielmetti, A.; Inglima, G.; La Commara, M.; Martin, B.; Mazzocchi, C.; Mazzocco, M.; Rizzo, C.; Romoli, M.; Sandoli, M.; Signorini, C.; Silvestri, R.; Soramel, F.; Strano, E.; Torresi, D.; Trifirò, A.; Trimarchi, M.

    2016-04-01

    The excitation of the dynamical dipole mode along the fusion path was investigated for the first time in the formation of a heavy compound nucleus in the A ˜190 mass region. The compound nucleus was formed at identical conditions of excitation energy and spin from two entrance channels: the charge-asymmetric 40Ca+152Sm and the nearly charge-symmetric 48Ca+144Sm at Elab=11 and 10.1 MeV/nucleon, respectively. High-energy γ rays and light charged particles were measured in coincidence with evaporation residues by means of the MEDEA multidetector array (Laboratori Nazionali del Sud, Italy) coupled to four parallel plate avalanche counters. The charged particle multiplicity spectra and angular distributions were used to pin down the average excitation energy, the average mass, and the average charge of the compound nucleus. The γ -ray multiplicity spectrum and angular distribution related to the nearly charge-symmetric channel were employed to obtain new data on the giant dipole resonance in the compound nucleus. The dynamical dipole mode excitation in the charge-asymmetric channel was evidenced, in a model-independent way, by comparing the γ -ray multiplicity spectra and angular distributions of the two entrance channels with each other. Calculations of the dynamical dipole mode in the 40Ca+152Sm channel, based on a collective bremsstrahlung analysis of the reaction dynamics, are presented. Possible interesting implications in the superheavy-element quest are discussed.

  17. High Hydrogen Content Graphene Hydride Compounds & High Cross-­ Section Cladding Coatings for Fast Neutron Detection

    Energy Technology Data Exchange (ETDEWEB)

    Chandrashekhar, MVS [Univ. of South Carolina, Columbia, SC (United States)

    2017-06-21

    The objective is to develop and implement a superior low-cost, large area (potentially >32in), easily deployable, close proximity, harsh environment innovative neutron sensor needed for next generation fuel cycle monitoring. We will exploit recent breakthroughs at the PI’s lab on the electrochemistry of epitaxial graphene (EG) formed on commercial SiC wafers, a transformative nanomaterial system with superior radiation detection and durability properties to develop a new paradigm in detection for fast neutrons, a by-product of fission reactors. There are currently few effective detection/monitoring schemes, especially solid-state ones at present. This is essential for monitoring and control of future fuel cycles to make them more efficient and reliable. By exploiting these novel materials, as well as innovative hybrid SiC/EG/Cladding device architectures conceived by the team, will develop low-cost, high performance solutions to fast-neutron detection. Finally, we will also explore 3-terminal device implementations for neutron detectors with built-in electronic gain to further shrink these devices and improve their sensitivity.

  18. High-field FT-ICR-MS and aromaticity equivalent approach for structural identification of water soluble organic compounds (WSOC)

    Science.gov (United States)

    Harir, Mourad; Yassine, Mahmoud M.; Dabek-Zlotorzynska, Ewa; Hertkorn, Norbert; Schmitt-Kopplin, Philippe

    2015-04-01

    Organic aerosol (OA) makes up a large and often dominant fraction, (20 to 90%) of the submicron atmospheric particulate mass, and its effects are becoming increasingly important in determining climatic and health effects of atmospheric aerosols. Despite the abundance of OA, our understanding of the sources, formation processes and atmospheric properties of OA is limited. Atmospheric OA has both primary (directly emitted) and secondary (formed in the atmosphere from precursor gases) sources, which can be natural (e.g. vegetation) and/or anthropogenic (e.g. fossil-based vehicle exhaust or biomass burning). A significant fraction of OA contains as much as 20-70% of water soluble organic compounds (WSOC). The WSOC fraction is a very complex mixture of low volatility, polyfunctional aliphatic and aromatic compounds containing carboxyl, alcohol, carbonyl, sulfo, nitro, and other functionalities. This high degree of chemical complexity of atmospheric organics has inspired a number of sophisticated approaches that are capable of identifying and detecting a variety of different analytes in OA. Accordingly, one of the most challenging areas of atmospheric particulate matter (PM) analysis is to comprehend the molecular complexity of the OA, especially WSOC fraction, a significant component of atmospheric fine PM (PM2.5). The sources of WSOC are not well understood, especially the relative contributions of primary vs. secondary organic aerosol. Therefore, the molecular characterization of WSOC is important because it allows gaining insight into aerosol sources and underlying mechanisms of secondary organic aerosols (SOA) formation and transformation. In this abstract, molecular characterization of WSOC was achieved using high-field mass spectrometry FT-ICR-MS and aromaticity equivalent approach. Aromaticity equivalent (Xc), defined recently as a new parameter calculated from the assigned molecular formulas (complementary to the aromaticity index [1]), is introduced to improve

  19. Vibration Analysis of Blade Under Multiple Composite Unsteady Excitations

    Directory of Open Access Journals (Sweden)

    Licheng FANG

    2014-01-01

    Full Text Available In order to understand the effects of the unsteady aerodynamic excitations in complex flow field on blades, on the basis of the data obtained from the single-stage axial flow compressor, three kinds of exciting forms in the compressor had been studied, including the correlation between excitations and responses in the upstream blade row wake, inlet distortion and rotating stall. Results showed that the response characteristics of the unsteady aerodynamic excitation could be extracted by adopting cross-relation method to distinguish effects of different exciting forms on blades. When many kinds of unsteady aerodynamic excitations co-existed, various exciting factors could be extracted from the mixed excitations through the cross-correlation analysis of excitation and response signals and by comparing with the characteristics of single aerodynamic excitation. Simulation data showed that the trail excitation energy on blades focused mainly on high frequency domains, the dynamic excitation of rotating stall centered on low frequency domains the excitation of the inlet distortion on blades existed in both high and low frequencies and amplitude at low frequency was larger than that at high frequency.

  20. Combining flat crystals, bent crystals and compound refractive lenses for high-energy X-ray optics.

    Science.gov (United States)

    Shastri, S D

    2004-03-01

    Compound refractive lenses (CRLs) are effective for collimating or focusing high-energy X-ray beams (50-100 keV) and can be used in conjunction with crystal optics in a variety of configurations, as demonstrated at the 1-ID undulator beamline of the Advanced Photon Source. As a primary example, this article describes the quadrupling of the output flux when a collimating CRL, composed of cylindrical holes in aluminium, is inserted between two successive monochromators, i.e. a modest-energy-resolution premonochromator followed by a high-resolution monochromator. The premonochromator is a cryogenically cooled divergence-preserving bent double-Laue Si(111) crystal device delivering an energy width DeltaE/E approximately 10(-3), which is sufficient for most experiments. The high-resolution monochromator is a four-reflection flat Si(111) crystal system resembling two channel-cuts in a dispersive arrangement, reducing the bandwidth to less than 10(-4), as required for some applications. Tests with 67 and 81 keV photon energies show that the high-resolution monochromator, having a narrow angular acceptance of a few microradians, exhibits a fourfold throughput enhancement due to the insertion of a CRL that reduces the premonochromatized beam's vertical divergence from 29 micro rad to a few microradians. The ability to focus high-energy X-rays with CRLs having long focal lengths (tens of meters) is also shown by creating a line focus of 70-90 micro m beam height in the beamline end-station with both the modest-energy-resolution and the high-energy-resolution monochromatic X-rays.